CID 12999

Decane, 1-(ethenyloxy)-

Structural Information

Molecular Formula
C12H24O
SMILES
CCCCCCCCCCOC=C
InChI
InChI=1S/C12H24O/c1-3-5-6-7-8-9-10-11-12-13-4-2/h4H,2-3,5-12H2,1H3
InChIKey
NSOAQRMLVFRWIT-UHFFFAOYSA-N
Compound name
1-ethenoxydecane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

7153
Patents

184.18271 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.18999 147.7
[M+Na]+ 207.17193 152.8
[M-H]- 183.17543 147.0
[M+NH4]+ 202.21653 167.9
[M+K]+ 223.14587 151.0
[M+H-H2O]+ 167.17997 142.3
[M+HCOO]- 229.18091 170.0
[M+CH3COO]- 243.19656 186.6
[M+Na-2H]- 205.15738 151.7
[M]+ 184.18216 152.1
[M]- 184.18326 152.1
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