CID 162067

Benzene, 2-(1,1-dimethylethyl)-1-methoxy-4-methyl-

Structural Information

Molecular Formula
C12H18O
SMILES
CC1=CC(=C(C=C1)OC)C(C)(C)C
InChI
InChI=1S/C12H18O/c1-9-6-7-11(13-5)10(8-9)12(2,3)4/h6-8H,1-5H3
InChIKey
MFUCHEKLRHJSFE-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-methoxy-4-methylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

176
Patents

178.13577 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.143046 139.2
[M+Na]+ 201.124988 147.9
[M-H]- 177.128494 143.5
[M+NH4]+ 196.169593 160.4
[M+K]+ 217.098928 146.4
[M+H-H2O]+ 161.133030 134.4
[M+HCOO]- 223.133971 161.6
[M+CH3COO]- 237.149621 184.5
[M+Na-2H]- 199.110436 145.3
[M]+ 178.13522142 142.0
[M]- 178.13631858 142.0
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