CID 115429040

2-methyl-2-(5-methyl-1h-1,2,4-triazol-3-yl)propan-1-amine dihydrochloride

Structural Information

Molecular Formula
C7H14N4
SMILES
CC1=NC(=NN1)C(C)(C)CN
InChI
InChI=1S/C7H14N4/c1-5-9-6(11-10-5)7(2,3)4-8/h4,8H2,1-3H3,(H,9,10,11)
InChIKey
VVMUXKXUTWVUBL-UHFFFAOYSA-N
Compound name
2-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.12184 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.129116 136.1
[M+Na]+ 177.111058 144.4
[M-H]- 153.114564 134.3
[M+NH4]+ 172.155663 154.1
[M+K]+ 193.084998 142.1
[M+H-H2O]+ 137.119100 129.0
[M+HCOO]- 199.120041 155.4
[M+CH3COO]- 213.135691 176.6
[M+Na-2H]- 175.096506 141.6
[M]+ 154.12129142 133.7
[M]- 154.12238858 133.7
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.