CID 40641

53206-74-9

Structural Information

Molecular Formula
C19H31NO3
SMILES
CC1=C(C(=C(C=C1)C(C)C)OCCN(C)C)C(=O)OCC(C)C
InChI
InChI=1S/C19H31NO3/c1-13(2)12-23-19(21)17-15(5)8-9-16(14(3)4)18(17)22-11-10-20(6)7/h8-9,13-14H,10-12H2,1-7H3
InChIKey
SYFXJBNDAATWMO-UHFFFAOYSA-N
Compound name
2-methylpropyl 2-[2-(dimethylamino)ethoxy]-6-methyl-3-propan-2-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.2304 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.23768 180.9
[M+Na]+ 344.21962 185.6
[M-H]- 320.22312 185.4
[M+NH4]+ 339.26422 196.1
[M+K]+ 360.19356 185.4
[M+H-H2O]+ 304.22766 173.5
[M+HCOO]- 366.22860 201.5
[M+CH3COO]- 380.24425 220.4
[M+Na-2H]- 342.20507 177.7
[M]+ 321.22985 187.9
[M]- 321.23095 187.9
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.