CID 18430686

1823911-79-0

Structural Information

Molecular Formula
C4H7N3O
SMILES
CC1=NNN=C1CO
InChI
InChI=1S/C4H7N3O/c1-3-4(2-8)6-7-5-3/h8H,2H2,1H3,(H,5,6,7)
InChIKey
PFBCKBGKRFYNLE-UHFFFAOYSA-N
Compound name
(5-methyl-2H-triazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

113.058914 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.066190 121.0
[M+Na]+ 136.048132 130.6
[M-H]- 112.051638 118.4
[M+NH4]+ 131.092737 140.3
[M+K]+ 152.022072 128.6
[M+H-H2O]+ 96.056174 114.2
[M+HCOO]- 158.057115 141.1
[M+CH3COO]- 172.072765 162.5
[M+Na-2H]- 134.033580 127.5
[M]+ 113.05836542 119.3
[M]- 113.05946258 119.3
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

patents stripe