CID 63703177

4-acetamidooxane-4-carboxylic acid

Structural Information

Molecular Formula
C8H13NO4
SMILES
CC(=O)NC1(CCOCC1)C(=O)O
InChI
InChI=1S/C8H13NO4/c1-6(10)9-8(7(11)12)2-4-13-5-3-8/h2-5H2,1H3,(H,9,10)(H,11,12)
InChIKey
NVGWRYSICBKPHJ-UHFFFAOYSA-N
Compound name
4-acetamidooxane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.08446 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.09174 139.5
[M+Na]+ 210.07368 143.9
[M-H]- 186.07718 141.7
[M+NH4]+ 205.11828 158.3
[M+K]+ 226.04762 145.0
[M+H-H2O]+ 170.08172 134.6
[M+HCOO]- 232.08266 157.9
[M+CH3COO]- 246.09831 178.9
[M+Na-2H]- 208.05913 144.9
[M]+ 187.08391 136.1
[M]- 187.08501 136.1
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.