CID 92013

3-(p-tert-butylphenyl)-2-methylpropanol

Structural Information

Molecular Formula
C14H22O
SMILES
CC(CC1=CC=C(C=C1)C(C)(C)C)CO
InChI
InChI=1S/C14H22O/c1-11(10-15)9-12-5-7-13(8-6-12)14(2,3)4/h5-8,11,15H,9-10H2,1-4H3
InChIKey
SJMDLCVBSNYMMJ-UHFFFAOYSA-N
Compound name
3-(4-tert-butylphenyl)-2-methylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

392
Patents

206.16707 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.174346 150.2
[M+Na]+ 229.156288 156.3
[M-H]- 205.159794 152.3
[M+NH4]+ 224.200893 169.0
[M+K]+ 245.130228 153.8
[M+H-H2O]+ 189.164330 145.0
[M+HCOO]- 251.165271 169.3
[M+CH3COO]- 265.180921 187.5
[M+Na-2H]- 227.141736 154.0
[M]+ 206.16652142 150.7
[M]- 206.16761858 150.7
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