CID 55282696

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

Structural Information

Molecular Formula
C9H12FN
SMILES
CC1=C(C=CC=C1F)C(C)N
InChI
InChI=1S/C9H12FN/c1-6-8(7(2)11)4-3-5-9(6)10/h3-5,7H,11H2,1-2H3
InChIKey
OBWHGEIVGSITLV-UHFFFAOYSA-N
Compound name
1-(3-fluoro-2-methylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

153.09538 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.102656 130.7
[M+Na]+ 176.084598 139.0
[M-H]- 152.088104 133.2
[M+NH4]+ 171.129203 151.9
[M+K]+ 192.058538 136.8
[M+H-H2O]+ 136.092640 124.6
[M+HCOO]- 198.093581 153.7
[M+CH3COO]- 212.109231 181.3
[M+Na-2H]- 174.070046 135.0
[M]+ 153.09483142 127.9
[M]- 153.09592858 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