CID 173780

2-(5-methyl-1h-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C5H10N4
SMILES
CC1=NC(=NN1)CCN
InChI
InChI=1S/C5H10N4/c1-4-7-5(2-3-6)9-8-4/h2-3,6H2,1H3,(H,7,8,9)
InChIKey
FZSOHMVWLBLDDI-UHFFFAOYSA-N
Compound name
2-(5-methyl-1H-1,2,4-triazol-3-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

59
Patents

126.090546 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.09782 125.7
[M+Na]+ 149.07976 134.5
[M-H]- 125.08327 123.8
[M+NH4]+ 144.12437 144.7
[M+K]+ 165.05370 132.2
[M+H-H2O]+ 109.08781 118.2
[M+HCOO]- 171.08875 147.3
[M+CH3COO]- 185.10440 170.3
[M+Na-2H]- 147.06521 131.6
[M]+ 126.09000 123.1
[M]- 126.09109 123.1
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