CID 3022584

1-methoxy-3,7-dimethyloctane

Structural Information

Molecular Formula
C11H24O
SMILES
CC(C)CCCC(C)CCOC
InChI
InChI=1S/C11H24O/c1-10(2)6-5-7-11(3)8-9-12-4/h10-11H,5-9H2,1-4H3
InChIKey
XBFMCXPIVMBHAL-UHFFFAOYSA-N
Compound name
1-methoxy-3,7-dimethyloctane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

172.18271 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.189986 145.8
[M+Na]+ 195.171928 150.6
[M-H]- 171.175434 145.4
[M+NH4]+ 190.216533 166.4
[M+K]+ 211.145868 150.5
[M+H-H2O]+ 155.179970 140.7
[M+HCOO]- 217.180911 166.2
[M+CH3COO]- 231.196561 186.1
[M+Na-2H]- 193.157376 147.7
[M]+ 172.18216142 149.2
[M]- 172.18325858 149.2
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