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

90
Patents

164.12012 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 135.5
[M+Na]+ 187.10934 143.7
[M-H]- 163.11284 139.6
[M+NH4]+ 182.15394 156.9
[M+K]+ 203.08328 142.4
[M+H-H2O]+ 147.11738 130.6
[M+HCOO]- 209.11832 158.2
[M+CH3COO]- 223.13397 180.3
[M+Na-2H]- 185.09479 142.8
[M]+ 164.11957 137.6
[M]- 164.12067 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