CID 75525398

N-(3-fluoro-2-methylphenyl)-2-methyloxolan-3-amine

Structural Information

Molecular Formula
C12H16FNO
SMILES
CC1C(CCO1)NC2=C(C(=CC=C2)F)C
InChI
InChI=1S/C12H16FNO/c1-8-10(13)4-3-5-11(8)14-12-6-7-15-9(12)2/h3-5,9,12,14H,6-7H2,1-2H3
InChIKey
CIMIYNZAUYZLTD-UHFFFAOYSA-N
Compound name
N-(3-fluoro-2-methylphenyl)-2-methyloxolan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.1216 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.128876 145.4
[M+Na]+ 232.110818 152.8
[M-H]- 208.114324 151.6
[M+NH4]+ 227.155423 164.8
[M+K]+ 248.084758 150.9
[M+H-H2O]+ 192.118860 138.4
[M+HCOO]- 254.119801 167.6
[M+CH3COO]- 268.135451 189.5
[M+Na-2H]- 230.096266 148.6
[M]+ 209.12105142 143.1
[M]- 209.12214858 143.1
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

No patent data available for this compound.