CID 5743593

2-dodec-11-enyloxirane

Structural Information

Molecular Formula
C14H26O
SMILES
C=CCCCCCCCCCCC1CO1
InChI
InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15-14/h2,14H,1,3-13H2
InChIKey
GPOAUVOYIHAVKA-UHFFFAOYSA-N
Compound name
2-dodec-11-enyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

210.19836 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.205636 153.7
[M+Na]+ 233.187578 160.1
[M-H]- 209.191084 157.8
[M+NH4]+ 228.232183 166.8
[M+K]+ 249.161518 157.8
[M+H-H2O]+ 193.195620 146.6
[M+HCOO]- 255.196561 174.8
[M+CH3COO]- 269.212211 193.7
[M+Na-2H]- 231.173026 158.4
[M]+ 210.19781142 160.4
[M]- 210.19890858 160.4
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