CID 10866940

35144-39-9

Structural Information

Molecular Formula
C11H16O2
SMILES
CC(C)(CC1=CC=C(C=C1)OC)O
InChI
InChI=1S/C11H16O2/c1-11(2,12)8-9-4-6-10(13-3)7-5-9/h4-7,12H,8H2,1-3H3
InChIKey
UARSYQUQCPAGLB-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

180.11504 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 139.7
[M+Na]+ 203.10426 147.2
[M-H]- 179.10776 142.2
[M+NH4]+ 198.14886 159.5
[M+K]+ 219.07820 145.4
[M+H-H2O]+ 163.11230 134.7
[M+HCOO]- 225.11324 161.0
[M+CH3COO]- 239.12889 180.2
[M+Na-2H]- 201.08971 146.4
[M]+ 180.11449 141.3
[M]- 180.11559 141.3
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

patents stripe