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

90
Patents

160.0484 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.05568 128.9
[M+Na]+ 183.03762 135.2
[M-H]- 159.04112 131.6
[M+NH4]+ 178.08222 146.4
[M+K]+ 199.01156 136.9
[M+H-H2O]+ 143.04566 122.3
[M+HCOO]- 205.04660 149.5
[M+CH3COO]- 219.06225 176.4
[M+Na-2H]- 181.02307 135.7
[M]+ 160.04785 127.6
[M]- 160.04895 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