CID 7016287

N-cyclopropylaniline

Structural Information

Molecular Formula

C₉H₁₁N

SMILES

C1CC1NC2=CC=CC=C2

InChI

InChI=1S/C9H11N/c1-2-4-8(5-3-1)10-9-6-7-9/h1-5,9-10H,6-7H2

InChIKey

AOTWIFLKURJQGE-UHFFFAOYSA-N

Compound name

N-cyclopropylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 723
Patents: 133.08914 Da
Monoisotopic Mass: 2.5
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]+	134.09642	128.3
[M+Na]+	156.07836	142.5
[M+NH4]+	151.12296	138.9
[M+K]+	172.05230	136.5
[M-H]-	132.08186	140.0
[M+Na-2H]-	154.06381	140.2
[M]+	133.08859	134.8
[M]-	133.08969	134.8

Literature stripe

literature stripe

Patent stripe

patents stripe