CID 75480563

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

Structural Information

Molecular Formula
C8H14N4
SMILES
CN1C(=NN=C1C2CCC2)CN
InChI
InChI=1S/C8H14N4/c1-12-7(5-9)10-11-8(12)6-3-2-4-6/h6H,2-5,9H2,1H3
InChIKey
FKMFYPCPLYFCGQ-UHFFFAOYSA-N
Compound name
(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.12184 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.12912 136.0
[M+Na]+ 189.11106 142.9
[M-H]- 165.11456 138.3
[M+NH4]+ 184.15566 147.6
[M+K]+ 205.08500 143.7
[M+H-H2O]+ 149.11910 122.5
[M+HCOO]- 211.12004 156.2
[M+CH3COO]- 225.13569 184.5
[M+Na-2H]- 187.09651 139.5
[M]+ 166.12129 142.5
[M]- 166.12239 142.5
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.