CID 62720360

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

Structural Information

Molecular Formula
C7H12N4
SMILES
CN1C(=NC(=N1)C2CC2)CN
InChI
InChI=1S/C7H12N4/c1-11-6(4-8)9-7(10-11)5-2-3-5/h5H,2-4,8H2,1H3
InChIKey
FNMXKIOFMCGDMH-UHFFFAOYSA-N
Compound name
(5-cyclopropyl-2-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

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.113476 138.8
[M+Na]+ 175.095418 150.0
[M-H]- 151.098924 142.4
[M+NH4]+ 170.140023 152.8
[M+K]+ 191.069358 145.8
[M+H-H2O]+ 135.103460 130.5
[M+HCOO]- 197.104401 161.6
[M+CH3COO]- 211.120051 181.9
[M+Na-2H]- 173.080866 143.2
[M]+ 152.10565142 140.2
[M]- 152.10674858 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.