CID 17820768

4-amino-3-cyclopropylbenzonitrile

Structural Information

Molecular Formula
C10H10N2
SMILES
C1CC1C2=C(C=CC(=C2)C#N)N
InChI
InChI=1S/C10H10N2/c11-6-7-1-4-10(12)9(5-7)8-2-3-8/h1,4-5,8H,2-3,12H2
InChIKey
ODVFCHGIUDBMQB-UHFFFAOYSA-N
Compound name
4-amino-3-cyclopropylbenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
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 136.5
[M+Na]+ 181.07362 149.7
[M+NH4]+ 176.11822 142.8
[M+K]+ 197.04756 141.6
[M-H]- 157.07712 139.8
[M+Na-2H]- 179.05907 144.0
[M]+ 158.08385 139.5
[M]- 158.08495 139.5
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