CID 99953

2-(nonoxymethyl)oxirane

Structural Information

Molecular Formula
C12H24O2
SMILES
CCCCCCCCCOCC1CO1
InChI
InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-13-10-12-11-14-12/h12H,2-11H2,1H3
InChIKey
KEKXMAURKVLACV-UHFFFAOYSA-N
Compound name
2-(nonoxymethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

987
Patents

200.17763 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.184906 150.1
[M+Na]+ 223.166848 156.9
[M-H]- 199.170354 154.4
[M+NH4]+ 218.211453 163.6
[M+K]+ 239.140788 156.0
[M+H-H2O]+ 183.174890 143.0
[M+HCOO]- 245.175831 171.8
[M+CH3COO]- 259.191481 190.6
[M+Na-2H]- 221.152296 155.6
[M]+ 200.17708142 158.1
[M]- 200.17817858 158.1
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