CID 12404768

Cis-1,2-epoxycyclododecane

Structural Information

Molecular Formula
C10H18O
SMILES
C1CCCC[C@H]2[C@H](O2)CCC1
InChI
InChI=1S/C10H18O/c1-2-4-6-8-10-9(11-10)7-5-3-1/h9-10H,1-8H2/t9-,10+
InChIKey
AFCZSFUPWLSMSZ-AOOOYVTPSA-N
Compound name
(1S,10R)-11-oxabicyclo[8.1.0]undecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

154.13577 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.143046 129.1
[M+Na]+ 177.124988 135.3
[M-H]- 153.128494 131.8
[M+NH4]+ 172.169593 142.5
[M+K]+ 193.098928 136.8
[M+H-H2O]+ 137.133030 126.5
[M+HCOO]- 199.133971 146.7
[M+CH3COO]- 213.149621 175.6
[M+Na-2H]- 175.110436 136.0
[M]+ 154.13522142 125.3
[M]- 154.13631858 125.3
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