CID 161858

5-nonadecylresorcinol

Structural Information

Molecular Formula
C25H44O2
SMILES
CCCCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O
InChI
InChI=1S/C25H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(26)22-25(27)21-23/h20-22,26-27H,2-19H2,1H3
InChIKey
PUNOCEUUYUXUGR-UHFFFAOYSA-N
Compound name
5-nonadecylbenzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

121
Patents

376.33414 Da
Monoisotopic Mass

11.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.34142 202.9
[M+Na]+ 399.32336 204.2
[M-H]- 375.32686 201.1
[M+NH4]+ 394.36796 214.0
[M+K]+ 415.29730 197.7
[M+H-H2O]+ 359.33140 194.7
[M+HCOO]- 421.33234 219.4
[M+CH3COO]- 435.34799 220.4
[M+Na-2H]- 397.30881 200.0
[M]+ 376.33359 208.4
[M]- 376.33469 208.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe