CID 12253927

4-cyclopropylaniline

Structural Information

Molecular Formula

C₉H₁₁N

SMILES

C1CC1C2=CC=C(C=C2)N

InChI

InChI=1S/C9H11N/c10-9-5-3-8(4-6-9)7-1-2-7/h3-7H,1-2,10H2

InChIKey

UBXDNWVNEZBDBN-UHFFFAOYSA-N

Compound name

4-cyclopropylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 623
Patents: 133.08914 Da
Monoisotopic Mass: 2.0
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	127.5
[M+Na]+	156.07836	141.8
[M+NH4]+	151.12296	138.0
[M+K]+	172.05230	136.2
[M-H]-	132.08186	139.1
[M+Na-2H]-	154.06381	138.9
[M]+	133.08859	133.9
[M]-	133.08969	133.9

Literature stripe

literature stripe

Patent stripe

patents stripe