CID 211837

23598-89-2

Structural Information

Molecular Formula
C10H15NO3
SMILES
CCCN1CC(OC1=O)COCC#C
InChI
InChI=1S/C10H15NO3/c1-3-5-11-7-9(14-10(11)12)8-13-6-4-2/h2,9H,3,5-8H2,1H3
InChIKey
SCMARODWSHMZGY-UHFFFAOYSA-N
Compound name
3-propyl-5-(prop-2-ynoxymethyl)-1,3-oxazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.1052 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.11248 136.2
[M+Na]+ 220.09442 145.7
[M-H]- 196.09792 137.1
[M+NH4]+ 215.13902 152.7
[M+K]+ 236.06836 144.1
[M+H-H2O]+ 180.10246 123.8
[M+HCOO]- 242.10340 151.5
[M+CH3COO]- 256.11905 191.5
[M+Na-2H]- 218.07987 139.2
[M]+ 197.10465 133.6
[M]- 197.10575 133.6
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

No patent data available for this compound.