CID 54775774

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

153.09538 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.10266 130.3
[M+Na]+ 176.08460 138.8
[M-H]- 152.08810 132.6
[M+NH4]+ 171.12920 151.5
[M+K]+ 192.05854 136.1
[M+H-H2O]+ 136.09264 124.0
[M+HCOO]- 198.09358 154.2
[M+CH3COO]- 212.10923 180.4
[M+Na-2H]- 174.07005 135.8
[M]+ 153.09483 128.1
[M]- 153.09593 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