CID 3040952

Brn 2738863

Structural Information

Molecular Formula
C15H23NO3
SMILES
CC1=C(C(=C(C=C1)C(C)C)OCCN(C)C)C(=O)O
InChI
InChI=1S/C15H23NO3/c1-10(2)12-7-6-11(3)13(15(17)18)14(12)19-9-8-16(4)5/h6-7,10H,8-9H2,1-5H3,(H,17,18)
InChIKey
DCJZXTKDAOBQIY-UHFFFAOYSA-N
Compound name
2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1678 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.17508 163.3
[M+Na]+ 288.15702 173.5
[M+NH4]+ 283.20162 169.6
[M+K]+ 304.13096 168.9
[M-H]- 264.16052 164.5
[M+Na-2H]- 286.14247 167.0
[M]+ 265.16725 164.8
[M]- 265.16835 164.8
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.