CID 11275150

3-(1-aminocyclopropyl)benzonitrile hydrochloride

Structural Information

Molecular Formula
C10H10N2
SMILES
C1CC1(C2=CC=CC(=C2)C#N)N
InChI
InChI=1S/C10H10N2/c11-7-8-2-1-3-9(6-8)10(12)4-5-10/h1-3,6H,4-5,12H2
InChIKey
BZORZKOZFHXDCK-UHFFFAOYSA-N
Compound name
3-(1-aminocyclopropyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

158.0844 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.091676 132.1
[M+Na]+ 181.073618 148.2
[M-H]- 157.077124 140.7
[M+NH4]+ 176.118223 149.7
[M+K]+ 197.047558 141.3
[M+H-H2O]+ 141.081660 123.2
[M+HCOO]- 203.082601 155.1
[M+CH3COO]- 217.098251 194.2
[M+Na-2H]- 179.059066 141.0
[M]+ 158.08385142 129.6
[M]- 158.08494858 129.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe