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

31
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 145.8
[M+Na]+ 219.17193 148.2
[M-H]- 195.17543 145.9
[M+NH4]+ 214.21653 162.0
[M+K]+ 235.14587 147.9
[M+H-H2O]+ 179.17997 142.8
[M+HCOO]- 241.18091 163.7
[M+CH3COO]- 255.19656 178.4
[M+Na-2H]- 217.15738 148.4
[M]+ 196.18216 137.4
[M]- 196.18326 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