CID 12032139

3-cyclopropylaniline

Structural Information

Molecular Formula

C₉H₁₁N

SMILES

C1CC1C2=CC(=CC=C2)N

InChI

InChI=1S/C9H11N/c10-9-3-1-2-8(6-9)7-4-5-7/h1-3,6-7H,4-5,10H2

InChIKey

LKJYNYKTZLTHJN-UHFFFAOYSA-N

Compound name

3-cyclopropylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 271
Patents: 133.08914 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]+	134.096416	123.0
[M+Na]+	156.078358	132.6
[M-H]-	132.081864	130.6
[M+NH4]+	151.122963	139.8
[M+K]+	172.052298	129.5
[M+H-H2O]+	116.086400	116.9
[M+HCOO]-	178.087341	148.7
[M+CH3COO]-	192.102991	178.6
[M+Na-2H]-	154.063806	130.8
[M]+	133.08859142	122.9
[M]-	133.08968858	122.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe