CID 14121774

1-(2-methoxypropan-2-yl)-4-methylbenzene

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

44
Patents

164.12012 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.127396 135.3
[M+Na]+ 187.109338 143.4
[M-H]- 163.112844 139.4
[M+NH4]+ 182.153943 156.6
[M+K]+ 203.083278 142.1
[M+H-H2O]+ 147.117380 130.4
[M+HCOO]- 209.118321 158.0
[M+CH3COO]- 223.133971 181.0
[M+Na-2H]- 185.094786 142.6
[M]+ 164.11957142 137.4
[M]- 164.12066858 137.4
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