CID 130127852

Dtxsid201243035

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC1(CN(C1=O)CCO)C
InChI
InChI=1S/C7H13NO2/c1-7(2)5-8(3-4-9)6(7)10/h9H,3-5H2,1-2H3
InChIKey
WCCQGPYOSOCXQC-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-3,3-dimethylazetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.09464 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 129.2
[M+Na]+ 166.08386 136.8
[M-H]- 142.08736 130.7
[M+NH4]+ 161.12846 144.8
[M+K]+ 182.05780 138.7
[M+H-H2O]+ 126.09190 120.4
[M+HCOO]- 188.09284 148.9
[M+CH3COO]- 202.10849 176.6
[M+Na-2H]- 164.06931 134.8
[M]+ 143.09409 138.5
[M]- 143.09519 138.5
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.