CID 45072349

(s)-1-(4-fluoro-2-methylphenyl)ethanamine hydrochloride

Structural Information

Molecular Formula
C9H12FN
SMILES
CC1=C(C=CC(=C1)F)[C@H](C)N
InChI
InChI=1S/C9H12FN/c1-6-5-8(10)3-4-9(6)7(2)11/h3-5,7H,11H2,1-2H3/t7-/m0/s1
InChIKey
PQULUYWADYJNDJ-ZETCQYMHSA-N
Compound name
(1S)-1-(4-fluoro-2-methylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

153.09538 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.10266 130.7
[M+Na]+ 176.08460 139.0
[M-H]- 152.08810 133.2
[M+NH4]+ 171.12920 151.9
[M+K]+ 192.05854 136.8
[M+H-H2O]+ 136.09264 124.6
[M+HCOO]- 198.09358 153.7
[M+CH3COO]- 212.10923 181.3
[M+Na-2H]- 174.07005 135.0
[M]+ 153.09483 127.9
[M]- 153.09593 127.9
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