CID 22336876

(3-methoxy-2-methylpropyl)benzene

Structural Information

Molecular Formula
C11H16O
SMILES
CC(CC1=CC=CC=C1)COC
InChI
InChI=1S/C11H16O/c1-10(9-12-2)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey
YRELUSXNOZNOQI-UHFFFAOYSA-N
Compound name
(3-methoxy-2-methylpropyl)benzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

55
Patents

164.12012 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.127396 136.8
[M+Na]+ 187.109338 143.1
[M-H]- 163.112844 140.1
[M+NH4]+ 182.153943 157.5
[M+K]+ 203.083278 141.8
[M+H-H2O]+ 147.117380 130.9
[M+HCOO]- 209.118321 160.0
[M+CH3COO]- 223.133971 180.3
[M+Na-2H]- 185.094786 142.8
[M]+ 164.11957142 138.3
[M]- 164.12066858 138.3
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