CID 71587650

Hexyldodecyl salicylate

Structural Information

Molecular Formula
C25H42O3
SMILES
CCCCCCCCCCC(CCCCCC)COC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C25H42O3/c1-3-5-7-9-10-11-12-14-18-22(17-13-8-6-4-2)21-28-25(27)23-19-15-16-20-24(23)26/h15-16,19-20,22,26H,3-14,17-18,21H2,1-2H3
InChIKey
BHKADXNNMGZZAP-UHFFFAOYSA-N
Compound name
2-hexyldodecyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

208
Patents

390.3134 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.320676 206.5
[M+Na]+ 413.302618 207.2
[M-H]- 389.306124 206.0
[M+NH4]+ 408.347223 217.2
[M+K]+ 429.276558 202.5
[M+H-H2O]+ 373.310660 198.0
[M+HCOO]- 435.311601 223.0
[M+CH3COO]- 449.327251 223.7
[M+Na-2H]- 411.288066 202.4
[M]+ 390.31285142 213.0
[M]- 390.31394858 213.0
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