CID 59384227

4-amino-2-cyclopropylbenzonitrile

Structural Information

Molecular Formula
C10H10N2
SMILES
C1CC1C2=C(C=CC(=C2)N)C#N
InChI
InChI=1S/C10H10N2/c11-6-8-3-4-9(12)5-10(8)7-1-2-7/h3-5,7H,1-2,12H2
InChIKey
OIEVZQHMTSQAIT-UHFFFAOYSA-N
Compound name
4-amino-2-cyclopropylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

73
Patents

158.0844 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.091676 130.2
[M+Na]+ 181.073618 146.1
[M-H]- 157.077124 138.6
[M+NH4]+ 176.118223 146.3
[M+K]+ 197.047558 139.0
[M+H-H2O]+ 141.081660 120.6
[M+HCOO]- 203.082601 153.4
[M+CH3COO]- 217.098251 195.6
[M+Na-2H]- 179.059066 137.7
[M]+ 158.08385142 127.6
[M]- 158.08494858 127.6
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

patents stripe