CID 5459106

Nsc615495

Structural Information

Molecular Formula
C24H40O3
SMILES
CCCCCC/C=C/CCCCCCCCCC1=C(C(=CC(=C1)O)OC)O
InChI
InChI=1S/C24H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-22(25)20-23(27-2)24(21)26/h8-9,19-20,25-26H,3-7,10-18H2,1-2H3/b9-8+
InChIKey
BDWQNYPENCTULP-CMDGGOBGSA-N
Compound name
2-[(E)-heptadec-10-enyl]-6-methoxybenzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.29776 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.30504 199.9
[M+Na]+ 399.28698 202.9
[M-H]- 375.29048 198.9
[M+NH4]+ 394.33158 211.3
[M+K]+ 415.26092 196.7
[M+H-H2O]+ 359.29502 192.1
[M+HCOO]- 421.29596 217.2
[M+CH3COO]- 435.31161 219.2
[M+Na-2H]- 397.27243 197.1
[M]+ 376.29721 206.2
[M]- 376.29831 206.2
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

No patent data available for this compound.