CID 520016

1-methoxycyclododecene

Structural Information

Molecular Formula
C13H24O
SMILES
COC1=CCCCCCCCCCC1
InChI
InChI=1S/C13H24O/c1-14-13-11-9-7-5-3-2-4-6-8-10-12-13/h11H,2-10,12H2,1H3
InChIKey
QKXCGPJJHMULFJ-UHFFFAOYSA-N
Compound name
1-methoxycyclododecene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

196.18271 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.189986 145.8
[M+Na]+ 219.171928 148.2
[M-H]- 195.175434 145.9
[M+NH4]+ 214.216533 162.0
[M+K]+ 235.145868 147.9
[M+H-H2O]+ 179.179970 142.8
[M+HCOO]- 241.180911 163.7
[M+CH3COO]- 255.196561 178.4
[M+Na-2H]- 217.157376 148.4
[M]+ 196.18216142 137.4
[M]- 196.18325858 137.4
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