CID 132327965

2307740-21-0

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]+ 225.170986 154.1
[M+Na]+ 247.152928 160.3
[M-H]- 223.156434 154.2
[M+NH4]+ 242.197533 170.1
[M+K]+ 263.126868 156.9
[M+H-H2O]+ 207.160970 146.1
[M+HCOO]- 269.161911 170.8
[M+CH3COO]- 283.177561 187.9
[M+Na-2H]- 245.138376 151.8
[M]+ 224.16316142 149.0
[M]- 224.16425858 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.