CID 82418179

3-(3-methyl-4h-1,2,4-triazol-4-yl)propan-1-amine 1.55*hydrochloride

Structural Information

Molecular Formula
C6H12N4
SMILES
CC1=NN=CN1CCCN
InChI
InChI=1S/C6H12N4/c1-6-9-8-5-10(6)4-2-3-7/h5H,2-4,7H2,1H3
InChIKey
XDLHKCVZKRNKCG-UHFFFAOYSA-N
Compound name
3-(3-methyl-1,2,4-triazol-4-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.1062 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.11348 129.4
[M+Na]+ 163.09542 138.2
[M-H]- 139.09892 128.7
[M+NH4]+ 158.14002 148.5
[M+K]+ 179.06936 136.6
[M+H-H2O]+ 123.10346 121.5
[M+HCOO]- 185.10440 152.1
[M+CH3COO]- 199.12005 175.9
[M+Na-2H]- 161.08087 135.3
[M]+ 140.10565 129.1
[M]- 140.10675 129.1
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.