CID 53424126

1,4-benzenediol, 2-(10-bromodecyl)-5,6-dimethoxy-3-methyl-

Structural Information

Molecular Formula
C19H31BrO4
SMILES
CC1=C(C(=C(C(=C1O)OC)OC)O)CCCCCCCCCCBr
InChI
InChI=1S/C19H31BrO4/c1-14-15(12-10-8-6-4-5-7-9-11-13-20)17(22)19(24-3)18(23-2)16(14)21/h21-22H,4-13H2,1-3H3
InChIKey
MUPRSZJKPYSXDZ-UHFFFAOYSA-N
Compound name
2-(10-bromodecyl)-5,6-dimethoxy-3-methylbenzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.14056 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.147836 190.4
[M+Na]+ 425.129778 199.4
[M-H]- 401.133284 193.3
[M+NH4]+ 420.174383 204.9
[M+K]+ 441.103718 186.6
[M+H-H2O]+ 385.137820 188.5
[M+HCOO]- 447.138761 206.6
[M+CH3COO]- 461.154411 218.2
[M+Na-2H]- 423.115226 189.8
[M]+ 402.14001142 215.4
[M]- 402.14110858 215.4
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.