CID 220749

4-tert-octylresorcinol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
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 153.7
[M+Na]+ 245.15121 164.8
[M+NH4]+ 240.19581 160.9
[M+K]+ 261.12515 160.1
[M-H]- 221.15471 153.8
[M+Na-2H]- 243.13666 158.5
[M]+ 222.16144 155.4
[M]- 222.16254 155.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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