CID 18319150

Butyloctyl salicylate

Structural Information

Molecular Formula
C19H30O3
SMILES
CCCCCCC(CCCC)COC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C19H30O3/c1-3-5-7-8-12-16(11-6-4-2)15-22-19(21)17-13-9-10-14-18(17)20/h9-10,13-14,16,20H,3-8,11-12,15H2,1-2H3
InChIKey
CZVOIAOPRGNENY-UHFFFAOYSA-N
Compound name
2-butyloctyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

2169
Patents

306.21948 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.22676 179.4
[M+Na]+ 329.20870 182.7
[M-H]- 305.21220 180.1
[M+NH4]+ 324.25330 193.6
[M+K]+ 345.18264 179.4
[M+H-H2O]+ 289.21674 172.0
[M+HCOO]- 351.21768 197.9
[M+CH3COO]- 365.23333 206.1
[M+Na-2H]- 327.19415 178.4
[M]+ 306.21893 183.7
[M]- 306.22003 183.7
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