CID 13953874

(4-cyclopropylphenyl)methanamine

Structural Information

Molecular Formula

C₁₀H₁₃N

SMILES

C1CC1C2=CC=C(C=C2)CN

InChI

InChI=1S/C10H13N/c11-7-8-1-3-9(4-2-8)10-5-6-10/h1-4,10H,5-7,11H2

InChIKey

XHGPNIFDHYUTOE-UHFFFAOYSA-N

Compound name

(4-cyclopropylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 147.1048 Da
Monoisotopic Mass: 1.7
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]+	148.11208	131.4
[M+Na]+	170.09402	145.5
[M+NH4]+	165.13862	141.8
[M+K]+	186.06796	139.8
[M-H]-	146.09752	143.0
[M+Na-2H]-	168.07947	142.6
[M]+	147.10425	137.8
[M]-	147.10535	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe