CID 11035192

6195-20-6

Structural Information

Molecular Formula
C19H30ClNO2
SMILES
CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)N
InChI
InChI=1S/C19H30ClNO2/c1-2-3-4-5-6-7-8-9-10-11-14-23-19(22)16-12-13-17(20)18(21)15-16/h12-13,15H,2-11,14,21H2,1H3
InChIKey
PFDZHCMFQQMXSB-UHFFFAOYSA-N
Compound name
dodecyl 3-amino-4-chlorobenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

445
Patents

339.1965 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.20378 184.5
[M+Na]+ 362.18572 195.2
[M+NH4]+ 357.23032 191.1
[M+K]+ 378.15966 186.6
[M-H]- 338.18922 186.2
[M+Na-2H]- 360.17117 188.1
[M]+ 339.19595 186.6
[M]- 339.19705 186.6
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

patents stripe