CID 6036977

856427-86-6

Structural Information

Molecular Formula
C22H34O4
SMILES
CCCC/C=C/CCCCCCCCCC1=C(C(=O)C=C(C1=O)OC)O
InChI
InChI=1S/C22H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)19(23)17-20(26-2)22(18)25/h6-7,17,24H,3-5,8-16H2,1-2H3/b7-6+
InChIKey
WVHQJXPRVZBEFP-VOTSOKGWSA-N
Compound name
2-hydroxy-5-methoxy-3-[(E)-pentadec-10-enyl]cyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

362.2457 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.25298 190.9
[M+Na]+ 385.23492 195.7
[M-H]- 361.23842 191.7
[M+NH4]+ 380.27952 203.6
[M+K]+ 401.20886 190.4
[M+H-H2O]+ 345.24296 183.5
[M+HCOO]- 407.24390 209.6
[M+CH3COO]- 421.25955 217.9
[M+Na-2H]- 383.22037 188.3
[M]+ 362.24515 197.5
[M]- 362.24625 197.5
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