CID 64764840

1340335-51-4

Structural Information

Molecular Formula
C11H16FNO
SMILES
CCCOCC1=C(C=CC(=C1)F)CN
InChI
InChI=1S/C11H16FNO/c1-2-5-14-8-10-6-11(12)4-3-9(10)7-13/h3-4,6H,2,5,7-8,13H2,1H3
InChIKey
XVOAWAKIDJVJQA-UHFFFAOYSA-N
Compound name
[4-fluoro-2-(propoxymethyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.1216 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.12888 143.0
[M+Na]+ 220.11082 150.6
[M-H]- 196.11432 144.9
[M+NH4]+ 215.15542 162.3
[M+K]+ 236.08476 147.8
[M+H-H2O]+ 180.11886 135.9
[M+HCOO]- 242.11980 166.4
[M+CH3COO]- 256.13545 188.5
[M+Na-2H]- 218.09627 147.3
[M]+ 197.12105 142.9
[M]- 197.12215 142.9
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.