CID 50988415

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

Structural Information

Molecular Formula
C6H10N4
SMILES
C1CC1N2C=NN=C2CN
InChI
InChI=1S/C6H10N4/c7-3-6-9-8-4-10(6)5-1-2-5/h4-5H,1-3,7H2
InChIKey
FDZAZLVLKYQZNG-UHFFFAOYSA-N
Compound name
(4-cyclopropyl-1,2,4-triazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.09055 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.09783 129.9
[M+Na]+ 161.07977 142.2
[M+NH4]+ 156.12437 138.1
[M+K]+ 177.05371 140.0
[M-H]- 137.08327 138.1
[M+Na-2H]- 159.06522 138.7
[M]+ 138.09000 134.8
[M]- 138.09110 134.8
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.