CID 65524524

1909319-81-8

Structural Information

Molecular Formula
C15H23FN2O
SMILES
CC(C)CC(CC(=O)NCC1=CC=C(C=C1)F)CN
InChI
InChI=1S/C15H23FN2O/c1-11(2)7-13(9-17)8-15(19)18-10-12-3-5-14(16)6-4-12/h3-6,11,13H,7-10,17H2,1-2H3,(H,18,19)
InChIKey
PESFEBOIDOSQQS-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-N-[(4-fluorophenyl)methyl]-5-methylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.17944 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.18672 165.3
[M+Na]+ 289.16866 173.1
[M+NH4]+ 284.21326 171.2
[M+K]+ 305.14260 167.7
[M-H]- 265.17216 165.8
[M+Na-2H]- 287.15411 168.6
[M]+ 266.17889 166.1
[M]- 266.17999 166.1
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.