CID 131839776

11-hydroxycero-melissic acid

Structural Information

Molecular Formula
C33H66O3
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(CCCCCCCCCC(=O)O)O
InChI
InChI=1S/C33H66O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-26-29-32(34)30-27-24-21-19-22-25-28-31-33(35)36/h32,34H,2-31H2,1H3,(H,35,36)
InChIKey
XJUVNDYZYNYSSN-UHFFFAOYSA-N
Compound name
11-hydroxytritriacontanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

510.5012 Da
Monoisotopic Mass

13.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.50848 243.4
[M+Na]+ 533.49042 247.2
[M-H]- 509.49392 226.1
[M+NH4]+ 528.53502 239.6
[M+K]+ 549.46436 247.8
[M+H-H2O]+ 493.49846 241.6
[M+HCOO]- 555.49940 245.8
[M+CH3COO]- 569.51505 248.1
[M+Na-2H]- 531.47587 227.0
[M]+ 510.50065 241.7
[M]- 510.50175 241.7
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

No patent data available for this compound.