CID 3016675

51503-08-3

Structural Information

Molecular Formula
C11H16O2
SMILES
CC(C)(C)OC1=CC=C(C=C1)CO
InChI
InChI=1S/C11H16O2/c1-11(2,3)13-10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3
InChIKey
HXCIWXCKKJLNMH-UHFFFAOYSA-N
Compound name
[4-[(2-methylpropan-2-yl)oxy]phenyl]methanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

136
Patents

180.11504 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.122316 139.9
[M+Na]+ 203.104258 147.5
[M-H]- 179.107764 142.5
[M+NH4]+ 198.148863 159.8
[M+K]+ 219.078198 145.7
[M+H-H2O]+ 163.112300 134.9
[M+HCOO]- 225.113241 161.3
[M+CH3COO]- 239.128891 179.6
[M+Na-2H]- 201.089706 146.6
[M]+ 180.11449142 141.4
[M]- 180.11558858 141.4
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

patents stripe