CID 132347060

1356660-00-8

Structural Information

Molecular Formula
C7H11N3O
SMILES
C1C[C@H]([C@@H](C1)O)N2C=NN=C2
InChI
InChI=1S/C7H11N3O/c11-7-3-1-2-6(7)10-4-8-9-5-10/h4-7,11H,1-3H2/t6-,7-/m1/s1
InChIKey
QKOWKLCCBNGSLY-RNFRBKRXSA-N
Compound name
trans-(1R,2R)-2-(1,2,4-triazol-4-yl)cyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.09021 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.097486 131.5
[M+Na]+ 176.079428 139.2
[M-H]- 152.082934 133.0
[M+NH4]+ 171.124033 151.1
[M+K]+ 192.053368 137.7
[M+H-H2O]+ 136.087470 123.4
[M+HCOO]- 198.088411 151.6
[M+CH3COO]- 212.104061 144.3
[M+Na-2H]- 174.064876 134.5
[M]+ 153.08966142 128.3
[M]- 153.09075858 128.3
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.