CID 155820598

2460749-54-4

Structural Information

Molecular Formula
C13H18FNO
SMILES
CC1=C(C=CC=C1F)CNCC2CCOC2
InChI
InChI=1S/C13H18FNO/c1-10-12(3-2-4-13(10)14)8-15-7-11-5-6-16-9-11/h2-4,11,15H,5-9H2,1H3
InChIKey
FBTQUCHERWFUTN-UHFFFAOYSA-N
Compound name
N-[(3-fluoro-2-methylphenyl)methyl]-1-(oxolan-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.13724 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.14452 150.1
[M+Na]+ 246.12646 156.2
[M-H]- 222.12996 155.7
[M+NH4]+ 241.17106 168.6
[M+K]+ 262.10040 154.0
[M+H-H2O]+ 206.13450 142.6
[M+HCOO]- 268.13544 172.0
[M+CH3COO]- 282.15109 191.4
[M+Na-2H]- 244.11191 153.5
[M]+ 223.13669 147.8
[M]- 223.13779 147.8
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.