CID 520016

32400-32-1

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

29
Patents

196.18271 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.18999 146.6
[M+Na]+ 219.17193 156.9
[M+NH4]+ 214.21653 155.0
[M+K]+ 235.14587 149.3
[M-H]- 195.17543 149.9
[M+Na-2H]- 217.15738 152.9
[M]+ 196.18216 148.6
[M]- 196.18326 148.6
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