CID 69749

1,4-benzenediol, 2-(1,1,3,3-tetramethylbutyl)-

Structural Information

Molecular Formula
C14H22O2
SMILES
CC(C)(C)CC(C)(C)C1=C(C=CC(=C1)O)O
InChI
InChI=1S/C14H22O2/c1-13(2,3)9-14(4,5)11-8-10(15)6-7-12(11)16/h6-8,15-16H,9H2,1-5H3
InChIKey
RDMIJQCFPQDYQN-UHFFFAOYSA-N
Compound name
2-(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

709
Patents

222.16199 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.169266 152.8
[M+Na]+ 245.151208 160.0
[M-H]- 221.154714 154.2
[M+NH4]+ 240.195813 170.7
[M+K]+ 261.125148 157.3
[M+H-H2O]+ 205.159250 148.5
[M+HCOO]- 267.160191 170.0
[M+CH3COO]- 281.175841 187.8
[M+Na-2H]- 243.136656 157.7
[M]+ 222.16144142 153.5
[M]- 222.16253858 153.5
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