CID 82512067

2460757-22-4

Structural Information

Molecular Formula
C5H10N4
SMILES
CNCCN1C=CN=N1
InChI
InChI=1S/C5H10N4/c1-6-2-4-9-5-3-7-8-9/h3,5-6H,2,4H2,1H3
InChIKey
LQWLEZPSTNSSEK-UHFFFAOYSA-N
Compound name
N-methyl-2-(triazol-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

126.090546 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.09782 124.3
[M+Na]+ 149.07976 132.5
[M-H]- 125.08327 123.9
[M+NH4]+ 144.12437 143.9
[M+K]+ 165.05370 131.7
[M+H-H2O]+ 109.08781 116.2
[M+HCOO]- 171.08875 148.0
[M+CH3COO]- 185.10440 172.5
[M+Na-2H]- 147.06521 132.6
[M]+ 126.09000 124.3
[M]- 126.09109 124.3
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

No patent data available for this compound.