CID 139595861

4-(4,6,8-trimethylnonan-2-yl)benzene-1,2-diol

Structural Information

Molecular Formula
C18H30O2
SMILES
CC(C)CC(C)CC(C)CC(C)C1=CC(=C(C=C1)O)O
InChI
InChI=1S/C18H30O2/c1-12(2)8-13(3)9-14(4)10-15(5)16-6-7-17(19)18(20)11-16/h6-7,11-15,19-20H,8-10H2,1-5H3
InChIKey
LAPHHMVDAWDHHI-UHFFFAOYSA-N
Compound name
4-(4,6,8-trimethylnonan-2-yl)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.22458 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.231856 172.1
[M+Na]+ 301.213798 175.6
[M-H]- 277.217304 172.2
[M+NH4]+ 296.258403 187.0
[M+K]+ 317.187738 172.9
[M+H-H2O]+ 261.221840 166.0
[M+HCOO]- 323.222781 187.0
[M+CH3COO]- 337.238431 203.2
[M+Na-2H]- 299.199246 168.1
[M]+ 278.22403142 172.6
[M]- 278.22512858 172.6
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.