CID 62399958

(1-cyclopentyl-1h-1,2,3-triazol-4-yl)methanol

Structural Information

Molecular Formula
C8H13N3O
SMILES
C1CCC(C1)N2C=C(N=N2)CO
InChI
InChI=1S/C8H13N3O/c12-6-7-5-11(10-9-7)8-3-1-2-4-8/h5,8,12H,1-4,6H2
InChIKey
CGVQGJNXJICZAD-UHFFFAOYSA-N
Compound name
(1-cyclopentyltriazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.10587 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.113146 135.9
[M+Na]+ 190.095088 143.2
[M-H]- 166.098594 137.3
[M+NH4]+ 185.139693 155.0
[M+K]+ 206.069028 141.5
[M+H-H2O]+ 150.103130 127.6
[M+HCOO]- 212.104071 155.7
[M+CH3COO]- 226.119721 148.3
[M+Na-2H]- 188.080536 138.5
[M]+ 167.10532142 133.1
[M]- 167.10641858 133.1
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.