CID 53403325

1-(2-methylpropyl)-1h-imidazol-4-amine dihydrochloride

Structural Information

Molecular Formula
C7H13N3
SMILES
CC(C)CN1C=C(N=C1)N
InChI
InChI=1S/C7H13N3/c1-6(2)3-10-4-7(8)9-5-10/h4-6H,3,8H2,1-2H3
InChIKey
VYBQFUYGAVPEDW-UHFFFAOYSA-N
Compound name
1-(2-methylpropyl)imidazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

139.11095 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.118226 130.2
[M+Na]+ 162.100168 138.3
[M-H]- 138.103674 131.0
[M+NH4]+ 157.144773 150.7
[M+K]+ 178.074108 137.0
[M+H-H2O]+ 122.108210 123.2
[M+HCOO]- 184.109151 153.0
[M+CH3COO]- 198.124801 176.9
[M+Na-2H]- 160.085616 134.5
[M]+ 139.11040142 129.1
[M]- 139.11149858 129.1
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.