CID 54595826

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

Structural Information

Molecular Formula
C4H8N4
SMILES
CN1C=C(N=N1)CN
InChI
InChI=1S/C4H8N4/c1-8-3-4(2-5)6-7-8/h3H,2,5H2,1H3
InChIKey
APBBDOUBRYKATO-UHFFFAOYSA-N
Compound name
(1-methyltriazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

112.0749 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.08218 120.4
[M+Na]+ 135.06412 130.0
[M-H]- 111.06762 120.1
[M+NH4]+ 130.10872 140.7
[M+K]+ 151.03806 129.0
[M+H-H2O]+ 95.072160 112.9
[M+HCOO]- 157.07310 143.8
[M+CH3COO]- 171.08875 169.8
[M+Na-2H]- 133.04957 127.4
[M]+ 112.07435 119.4
[M]- 112.07545 119.4
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