CID 80790

Carvacrol methyl ether

Structural Information

Molecular Formula
C11H16O
SMILES
CC1=C(C=C(C=C1)C(C)C)OC
InChI
InChI=1S/C11H16O/c1-8(2)10-6-5-9(3)11(7-10)12-4/h5-8H,1-4H3
InChIKey
YVLHTQPPMZOCOW-UHFFFAOYSA-N
Compound name
2-methoxy-1-methyl-4-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

12
References

409
Patents

164.12012 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.12740 134.8
[M+Na]+ 187.10934 143.1
[M-H]- 163.11284 139.0
[M+NH4]+ 182.15394 156.2
[M+K]+ 203.08328 141.9
[M+H-H2O]+ 147.11738 129.6
[M+HCOO]- 209.11832 158.1
[M+CH3COO]- 223.13397 182.6
[M+Na-2H]- 185.09479 139.5
[M]+ 164.11957 137.1
[M]- 164.12067 137.1
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