CID 45072349

2075820-33-4

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 131.8
[M+Na]+ 176.08460 143.6
[M+NH4]+ 171.12920 140.5
[M+K]+ 192.05854 137.4
[M-H]- 152.08810 133.7
[M+Na-2H]- 174.07005 138.2
[M]+ 153.09483 133.9
[M]- 153.09593 133.9
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