CID 70328

Benzene, ((2-methylpropoxy)methyl)-

Structural Information

Molecular Formula
C11H16O
SMILES
CC(C)COCC1=CC=CC=C1
InChI
InChI=1S/C11H16O/c1-10(2)8-12-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3
InChIKey
ADHMUPZYLITZIH-UHFFFAOYSA-N
Compound name
2-methylpropoxymethylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

758
Patents

164.12012 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 136.8
[M+Na]+ 187.10934 143.1
[M-H]- 163.11284 140.1
[M+NH4]+ 182.15394 157.5
[M+K]+ 203.08328 141.8
[M+H-H2O]+ 147.11738 130.9
[M+HCOO]- 209.11832 160.0
[M+CH3COO]- 223.13397 180.3
[M+Na-2H]- 185.09479 142.8
[M]+ 164.11957 138.3
[M]- 164.12067 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

literature stripe

Patent stripe

patents stripe