CID 11820073

148433-21-0

Structural Information

Molecular Formula
C9H13NO4
SMILES
CCC(=O)CC(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C9H13NO4/c1-2-6(11)5-8(12)10-7-3-4-14-9(7)13/h7H,2-5H2,1H3,(H,10,12)/t7-/m0/s1
InChIKey
SCRBQXWVQAXYJP-ZETCQYMHSA-N
Compound name
3-oxo-N-[(3S)-2-oxooxolan-3-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

199.08446 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.09174 143.2
[M+Na]+ 222.07368 148.7
[M-H]- 198.07718 147.0
[M+NH4]+ 217.11828 162.2
[M+K]+ 238.04762 149.3
[M+H-H2O]+ 182.08172 137.6
[M+HCOO]- 244.08266 165.1
[M+CH3COO]- 258.09831 184.8
[M+Na-2H]- 220.05913 145.5
[M]+ 199.08391 143.4
[M]- 199.08501 143.4
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