CID 53800752

1881293-19-1

Structural Information

Molecular Formula
C4H8N4
SMILES
CNCC1=NNN=C1
InChI
InChI=1S/C4H8N4/c1-5-2-4-3-6-8-7-4/h3,5H,2H2,1H3,(H,6,7,8)
InChIKey
KTLBZDSZDMPXAO-UHFFFAOYSA-N
Compound name
N-methyl-1-(2H-triazol-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

112.0749 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.082176 120.6
[M+Na]+ 135.064118 128.8
[M-H]- 111.067624 118.9
[M+NH4]+ 130.108723 140.0
[M+K]+ 151.038058 127.2
[M+H-H2O]+ 95.072160 112.9
[M+HCOO]- 157.073101 143.1
[M+CH3COO]- 171.088751 166.8
[M+Na-2H]- 133.049566 128.9
[M]+ 112.07435142 118.3
[M]- 112.07544858 118.3
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