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
2
Annotation Hits

0
References

159
Patents

390.3134 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.32068 206.5
[M+Na]+ 413.30262 207.2
[M-H]- 389.30612 206.0
[M+NH4]+ 408.34722 217.2
[M+K]+ 429.27656 202.5
[M+H-H2O]+ 373.31066 198.0
[M+HCOO]- 435.31160 223.0
[M+CH3COO]- 449.32725 223.7
[M+Na-2H]- 411.28807 202.4
[M]+ 390.31285 213.0
[M]- 390.31395 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