CID 6446932

1,2-benzenediol, 3-(7,10-pentadecadienyl)-

Structural Information

Molecular Formula
C21H32O2
SMILES
CCCC/C=C/C/C=C/CCCCCCC1=C(C(=CC=C1)O)O
InChI
InChI=1S/C21H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(22)21(19)23/h5-6,8-9,15,17-18,22-23H,2-4,7,10-14,16H2,1H3/b6-5+,9-8+
InChIKey
ADQRHHAWQDNVQI-HHWLVVFRSA-N
Compound name
3-[(7E,10E)-pentadeca-7,10-dienyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.24023 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.247506 182.8
[M+Na]+ 339.229448 186.7
[M-H]- 315.232954 182.1
[M+NH4]+ 334.274053 196.4
[M+K]+ 355.203388 179.9
[M+H-H2O]+ 299.237490 175.7
[M+HCOO]- 361.238431 201.1
[M+CH3COO]- 375.254081 205.6
[M+Na-2H]- 337.214896 182.2
[M]+ 316.23968142 185.4
[M]- 316.24077858 185.4
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.