CID 10376441

148433-17-4

Structural Information

Molecular Formula
C11H17NO4
SMILES
CCCCC(=O)CC(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C11H17NO4/c1-2-3-4-8(13)7-10(14)12-9-5-6-16-11(9)15/h9H,2-7H2,1H3,(H,12,14)/t9-/m0/s1
InChIKey
WMGXONSYPOENKA-VIFPVBQESA-N
Compound name
3-oxo-N-[(3S)-2-oxooxolan-3-yl]heptanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

227.11575 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12303 152.6
[M+Na]+ 250.10497 157.2
[M-H]- 226.10847 156.0
[M+NH4]+ 245.14957 170.5
[M+K]+ 266.07891 157.3
[M+H-H2O]+ 210.11301 146.6
[M+HCOO]- 272.11395 173.8
[M+CH3COO]- 286.12960 190.9
[M+Na-2H]- 248.09042 153.8
[M]+ 227.11520 153.5
[M]- 227.11630 153.5
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