CID 80279088

1-(3-aminopropyl)-1h-imidazole-2-carbonitrile dihydrochloride

Structural Information

Molecular Formula
C7H10N4
SMILES
C1=CN(C(=N1)C#N)CCCN
InChI
InChI=1S/C7H10N4/c8-2-1-4-11-5-3-10-7(11)6-9/h3,5H,1-2,4,8H2
InChIKey
UXNLPQRNNVLLBP-UHFFFAOYSA-N
Compound name
1-(3-aminopropyl)imidazole-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.09055 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.09783 129.0
[M+Na]+ 173.07977 138.4
[M-H]- 149.08327 128.8
[M+NH4]+ 168.12437 146.5
[M+K]+ 189.05371 136.4
[M+H-H2O]+ 133.08781 114.5
[M+HCOO]- 195.08875 148.7
[M+CH3COO]- 209.10440 190.0
[M+Na-2H]- 171.06522 134.2
[M]+ 150.09000 123.2
[M]- 150.09110 123.2
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.