CID 132327965

Rac-(1r,2r,4s)-2-(aminomethyl)-4-[5-(propan-2-yl)-4h-1,2,4-triazol-3-yl]cyclopentan-1-ol

Structural Information

Molecular Formula
C11H20N4O
SMILES
CC(C)C1=NNC(=N1)[C@H]2C[C@@H]([C@@H](C2)O)CN
InChI
InChI=1S/C11H20N4O/c1-6(2)10-13-11(15-14-10)7-3-8(5-12)9(16)4-7/h6-9,16H,3-5,12H2,1-2H3,(H,13,14,15)/t7-,8+,9+/m0/s1
InChIKey
ZLXPFCBHIPLTHT-DJLDLDEBSA-N
Compound name
(1R,2R,4S)-2-(aminomethyl)-4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.16371 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.17099 154.1
[M+Na]+ 247.15293 160.3
[M-H]- 223.15643 154.2
[M+NH4]+ 242.19753 170.1
[M+K]+ 263.12687 156.9
[M+H-H2O]+ 207.16097 146.1
[M+HCOO]- 269.16191 170.8
[M+CH3COO]- 283.17756 187.9
[M+Na-2H]- 245.13838 151.8
[M]+ 224.16316 149.0
[M]- 224.16426 149.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.