CID 62789655

Cyclopropyl(4-fluoro-3-methylphenyl)methanamine

Structural Information

Molecular Formula

C₁₁H₁₄FN

SMILES

CC1=C(C=CC(=C1)C(C2CC2)N)F

InChI

InChI=1S/C11H14FN/c1-7-6-9(4-5-10(7)12)11(13)8-2-3-8/h4-6,8,11H,2-3,13H2,1H3

InChIKey

QFYKJOSJBBLCAH-UHFFFAOYSA-N

Compound name

cyclopropyl-(4-fluoro-3-methylphenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 179.11102 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]+	180.118296	132.5
[M+Na]+	202.100238	141.7
[M-H]-	178.103744	138.7
[M+NH4]+	197.144843	147.6
[M+K]+	218.074178	138.1
[M+H-H2O]+	162.108280	125.3
[M+HCOO]-	224.109221	155.5
[M+CH3COO]-	238.124871	188.9
[M+Na-2H]-	200.085686	136.8
[M]+	179.11047142	131.7
[M]-	179.11156858	131.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe