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

78
Patents

158.0844 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.09168 130.2
[M+Na]+ 181.07362 146.1
[M-H]- 157.07712 138.6
[M+NH4]+ 176.11822 146.3
[M+K]+ 197.04756 139.0
[M+H-H2O]+ 141.08166 120.6
[M+HCOO]- 203.08260 153.4
[M+CH3COO]- 217.09825 195.6
[M+Na-2H]- 179.05907 137.7
[M]+ 158.08385 127.6
[M]- 158.08495 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