CID 572705

15359-97-4

Structural Information

Molecular Formula
C11H16O
SMILES
CC1=CC(=CC=C1)OC(C)(C)C
InChI
InChI=1S/C11H16O/c1-9-6-5-7-10(8-9)12-11(2,3)4/h5-8H,1-4H3
InChIKey
XPILIICSUJKOEA-UHFFFAOYSA-N
Compound name
1-methyl-3-[(2-methylpropan-2-yl)oxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

98
Patents

164.12012 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.127396 135.5
[M+Na]+ 187.109338 143.7
[M-H]- 163.112844 139.6
[M+NH4]+ 182.153943 156.9
[M+K]+ 203.083278 142.4
[M+H-H2O]+ 147.117380 130.6
[M+HCOO]- 209.118321 158.2
[M+CH3COO]- 223.133971 180.3
[M+Na-2H]- 185.094786 142.8
[M]+ 164.11957142 137.6
[M]- 164.12066858 137.6
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