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]+ 188.091736 139.5
[M+Na]+ 210.073678 143.9
[M-H]- 186.077184 141.7
[M+NH4]+ 205.118283 158.3
[M+K]+ 226.047618 145.0
[M+H-H2O]+ 170.081720 134.6
[M+HCOO]- 232.082661 157.9
[M+CH3COO]- 246.098311 178.9
[M+Na-2H]- 208.059126 144.9
[M]+ 187.08391142 136.1
[M]- 187.08500858 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.