CID 69749

719-03-9

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

598
Patents

222.16199 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16927 152.8
[M+Na]+ 245.15121 160.0
[M-H]- 221.15471 154.2
[M+NH4]+ 240.19581 170.7
[M+K]+ 261.12515 157.3
[M+H-H2O]+ 205.15925 148.5
[M+HCOO]- 267.16019 170.0
[M+CH3COO]- 281.17584 187.8
[M+Na-2H]- 243.13666 157.7
[M]+ 222.16144 153.5
[M]- 222.16254 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