CID 11615217

4-nitrosomorpholine-3-carboxylic acid

Structural Information

Molecular Formula
C5H8N2O4
SMILES
C1COCC(N1N=O)C(=O)O
InChI
InChI=1S/C5H8N2O4/c8-5(9)4-3-11-2-1-7(4)6-10/h4H,1-3H2,(H,8,9)
InChIKey
LRGULUNPYYHYMY-UHFFFAOYSA-N
Compound name
4-nitrosomorpholine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

160.0484 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.055676 128.9
[M+Na]+ 183.037618 135.2
[M-H]- 159.041124 131.6
[M+NH4]+ 178.082223 146.4
[M+K]+ 199.011558 136.9
[M+H-H2O]+ 143.045660 122.3
[M+HCOO]- 205.046601 149.5
[M+CH3COO]- 219.062251 176.4
[M+Na-2H]- 181.023066 135.7
[M]+ 160.04785142 127.6
[M]- 160.04894858 127.6
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