CID 6336264

1-methoxy-4-methylcyclohexane

Structural Information

Molecular Formula
C8H16O
SMILES
CC1CCC(CC1)OC
InChI
InChI=1S/C8H16O/c1-7-3-5-8(9-2)6-4-7/h7-8H,3-6H2,1-2H3
InChIKey
VBAPYXHNMYKBKN-UHFFFAOYSA-N
Compound name
1-methoxy-4-methylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

780
Patents

128.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.12740 127.6
[M+Na]+ 151.10934 133.3
[M-H]- 127.11284 130.7
[M+NH4]+ 146.15394 149.9
[M+K]+ 167.08328 133.0
[M+H-H2O]+ 111.11738 122.6
[M+HCOO]- 173.11832 148.4
[M+CH3COO]- 187.13397 172.6
[M+Na-2H]- 149.09479 132.8
[M]+ 128.11957 124.7
[M]- 128.12067 124.7
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