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]+ 168.11315 135.9
[M+Na]+ 190.09509 143.2
[M-H]- 166.09859 137.3
[M+NH4]+ 185.13969 155.0
[M+K]+ 206.06903 141.5
[M+H-H2O]+ 150.10313 127.6
[M+HCOO]- 212.10407 155.7
[M+CH3COO]- 226.11972 148.3
[M+Na-2H]- 188.08054 138.5
[M]+ 167.10532 133.1
[M]- 167.10642 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.