CID 61377066

(4-cyclopropyl-5-methyl-4h-1,2,4-triazol-3-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C7H12N4
SMILES
CC1=NN=C(N1C2CC2)CN
InChI
InChI=1S/C7H12N4/c1-5-9-10-7(4-8)11(5)6-2-3-6/h6H,2-4,8H2,1H3
InChIKey
HHRQDUMUIKOXIB-UHFFFAOYSA-N
Compound name
(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

152.1062 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.11348 138.8
[M+Na]+ 175.09542 150.0
[M-H]- 151.09892 142.4
[M+NH4]+ 170.14002 152.8
[M+K]+ 191.06936 145.8
[M+H-H2O]+ 135.10346 130.5
[M+HCOO]- 197.10440 161.6
[M+CH3COO]- 211.12005 181.9
[M+Na-2H]- 173.08087 143.2
[M]+ 152.10565 140.2
[M]- 152.10675 140.2
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.