CID 53256625

1249121-13-8

Structural Information

Molecular Formula
C9H12FN
SMILES
CC1=C(C=CC(=C1)F)CNC
InChI
InChI=1S/C9H12FN/c1-7-5-9(10)4-3-8(7)6-11-2/h3-5,11H,6H2,1-2H3
InChIKey
HSOBTJJNTLBNEW-UHFFFAOYSA-N
Compound name
1-(4-fluoro-2-methylphenyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

153.09538 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.10266 129.7
[M+Na]+ 176.08460 138.2
[M-H]- 152.08810 132.5
[M+NH4]+ 171.12920 151.1
[M+K]+ 192.05854 135.9
[M+H-H2O]+ 136.09264 123.4
[M+HCOO]- 198.09358 154.2
[M+CH3COO]- 212.10923 181.1
[M+Na-2H]- 174.07005 136.3
[M]+ 153.09483 128.5
[M]- 153.09593 128.5
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