CID 58024981

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

Structural Information

Molecular Formula
C4H7N3O
SMILES
CN1N=CC(=N1)CO
InChI
InChI=1S/C4H7N3O/c1-7-5-2-4(3-8)6-7/h2,8H,3H2,1H3
InChIKey
RTCYUGLJCAPLPD-UHFFFAOYSA-N
Compound name
(2-methyltriazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

113.058914 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.066190 120.0
[M+Na]+ 136.048132 130.0
[M-H]- 112.051638 118.7
[M+NH4]+ 131.092737 140.0
[M+K]+ 152.022072 129.0
[M+H-H2O]+ 96.056174 113.0
[M+HCOO]- 158.057115 141.6
[M+CH3COO]- 172.072765 165.1
[M+Na-2H]- 134.033580 127.0
[M]+ 113.05836542 120.2
[M]- 113.05946258 120.2
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