CID 12654349

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

Structural Information

Molecular Formula
C4H7N3O
SMILES
CN1C=C(N=N1)CO
InChI
InChI=1S/C4H7N3O/c1-7-2-4(3-8)5-6-7/h2,8H,3H2,1H3
InChIKey
XKKMMJLWDOKNEW-UHFFFAOYSA-N
Compound name
(1-methyltriazol-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

311
Patents

113.058914 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.06619 120.0
[M+Na]+ 136.04813 130.0
[M-H]- 112.05164 118.7
[M+NH4]+ 131.09274 140.0
[M+K]+ 152.02207 129.0
[M+H-H2O]+ 96.056174 113.0
[M+HCOO]- 158.05712 141.6
[M+CH3COO]- 172.07276 165.1
[M+Na-2H]- 134.03358 127.0
[M]+ 113.05837 120.2
[M]- 113.05946 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

literature stripe

Patent stripe

patents stripe