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]+ 183.124036 139.7
[M+Na]+ 205.105978 146.6
[M-H]- 181.109484 139.7
[M+NH4]+ 200.150583 157.1
[M+K]+ 221.079918 143.4
[M+H-H2O]+ 165.114020 131.6
[M+HCOO]- 227.114961 158.4
[M+CH3COO]- 241.130611 176.8
[M+Na-2H]- 203.091426 140.8
[M]+ 182.11621142 133.8
[M]- 182.11730858 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.