CID 66769741

192883-14-0

Structural Information

Molecular Formula
C12H21NO4
SMILES
CCCCCC(CC(=O)N[C@H]1CCOC1=O)O
InChI
InChI=1S/C12H21NO4/c1-2-3-4-5-9(14)8-11(15)13-10-6-7-17-12(10)16/h9-10,14H,2-8H2,1H3,(H,13,15)/t9?,10-/m0/s1
InChIKey
XCZVBYOXRSFQBH-AXDSSHIGSA-N
Compound name
3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

243.14706 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.15434 159.2
[M+Na]+ 266.13628 162.6
[M-H]- 242.13978 160.9
[M+NH4]+ 261.18088 175.7
[M+K]+ 282.11022 162.2
[M+H-H2O]+ 226.14432 153.1
[M+HCOO]- 288.14526 178.2
[M+CH3COO]- 302.16091 192.3
[M+Na-2H]- 264.12173 159.3
[M]+ 243.14651 159.2
[M]- 243.14761 159.2
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