CID 19077751

1-(4-tert-butylphenyl)ethane-1,2-diol

Structural Information

Molecular Formula
C12H18O2
SMILES
CC(C)(C)C1=CC=C(C=C1)C(CO)O
InChI
InChI=1S/C12H18O2/c1-12(2,3)10-6-4-9(5-7-10)11(14)8-13/h4-7,11,13-14H,8H2,1-3H3
InChIKey
NNPXCFIPWDBGNX-UHFFFAOYSA-N
Compound name
1-(4-tert-butylphenyl)ethane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

194.13068 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 145.0
[M+Na]+ 217.11990 156.1
[M+NH4]+ 212.16450 152.6
[M+K]+ 233.09384 151.2
[M-H]- 193.12340 145.5
[M+Na-2H]- 215.10535 150.3
[M]+ 194.13013 146.7
[M]- 194.13123 146.7
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