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]+ 224.144516 150.1
[M+Na]+ 246.126458 156.2
[M-H]- 222.129964 155.7
[M+NH4]+ 241.171063 168.6
[M+K]+ 262.100398 154.0
[M+H-H2O]+ 206.134500 142.6
[M+HCOO]- 268.135441 172.0
[M+CH3COO]- 282.151091 191.4
[M+Na-2H]- 244.111906 153.5
[M]+ 223.13669142 147.8
[M]- 223.13778858 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.