CID 124251983

Rac-(1r,2r,4s)-2-(aminomethyl)-4-(4h-1,2,4-triazol-3-yl)cyclopentan-1-ol dihydrochloride

Structural Information

Molecular Formula
C8H14N4O
SMILES
C1[C@H](C[C@@H]([C@@H]1CN)O)C2=NC=NN2
InChI
InChI=1S/C8H14N4O/c9-3-6-1-5(2-7(6)13)8-10-4-11-12-8/h4-7,13H,1-3,9H2,(H,10,11,12)/t5-,6+,7+/m1/s1
InChIKey
YHUCZYONIXCWBX-VQVTYTSYSA-N
Compound name
(1S,2S,4R)-2-(aminomethyl)-4-(1H-1,2,4-triazol-5-yl)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.11676 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.12404 139.7
[M+Na]+ 205.10598 146.6
[M-H]- 181.10948 139.7
[M+NH4]+ 200.15058 157.1
[M+K]+ 221.07992 143.4
[M+H-H2O]+ 165.11402 131.6
[M+HCOO]- 227.11496 158.4
[M+CH3COO]- 241.13061 176.8
[M+Na-2H]- 203.09143 140.8
[M]+ 182.11621 133.8
[M]- 182.11731 133.8
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.