CID 62120539

2-(4-fluoro-3-methylphenyl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C9H12FN
SMILES
CC1=C(C=CC(=C1)CCN)F
InChI
InChI=1S/C9H12FN/c1-7-6-8(4-5-11)2-3-9(7)10/h2-3,6H,4-5,11H2,1H3
InChIKey
PUIVXMFARTWFPL-UHFFFAOYSA-N
Compound name
2-(4-fluoro-3-methylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

153.09538 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.102656 130.3
[M+Na]+ 176.084598 138.8
[M-H]- 152.088104 132.6
[M+NH4]+ 171.129203 151.5
[M+K]+ 192.058538 136.1
[M+H-H2O]+ 136.092640 124.0
[M+HCOO]- 198.093581 154.2
[M+CH3COO]- 212.109231 180.4
[M+Na-2H]- 174.070046 135.8
[M]+ 153.09483142 128.1
[M]- 153.09592858 128.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe