CID 3023984

94201-25-9

Structural Information

Molecular Formula
C19H31NO2
SMILES
CCCCCCCCC(C)CNC1=CC=CC=C1C(=O)OC
InChI
InChI=1S/C19H31NO2/c1-4-5-6-7-8-9-12-16(2)15-20-18-14-11-10-13-17(18)19(21)22-3/h10-11,13-14,16,20H,4-9,12,15H2,1-3H3
InChIKey
DVEFEVWZTSDZQP-UHFFFAOYSA-N
Compound name
methyl 2-(2-methyldecylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.23547 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.242746 180.1
[M+Na]+ 328.224688 183.0
[M-H]- 304.228194 182.2
[M+NH4]+ 323.269293 194.8
[M+K]+ 344.198628 180.0
[M+H-H2O]+ 288.232730 172.2
[M+HCOO]- 350.233671 201.0
[M+CH3COO]- 364.249321 211.6
[M+Na-2H]- 326.210136 179.9
[M]+ 305.23492142 184.1
[M]- 305.23601858 184.1
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.