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

491
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 185.9
[M+Na]+ 362.18572 190.9
[M-H]- 338.18922 187.7
[M+NH4]+ 357.23032 200.3
[M+K]+ 378.15966 185.0
[M+H-H2O]+ 322.19376 179.1
[M+HCOO]- 384.19470 202.6
[M+CH3COO]- 398.21035 214.9
[M+Na-2H]- 360.17117 184.8
[M]+ 339.19595 192.0
[M]- 339.19705 192.0
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