CID 86721323

5-amino-2-cyclopropylbenzonitrile

Structural Information

Molecular Formula

C₁₀H₁₀N₂

SMILES

C1CC1C2=C(C=C(C=C2)N)C#N

InChI

InChI=1S/C10H10N2/c11-6-8-5-9(12)3-4-10(8)7-1-2-7/h3-5,7H,1-2,12H2

InChIKey

XOIMOZPMJXGJSN-UHFFFAOYSA-N

Compound name

5-amino-2-cyclopropylbenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 158.0844 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[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

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe