CID 41224

4-[ethyl(nitroso)amino]butanoic acid

Structural Information

Molecular Formula
C6H12N2O3
SMILES
CCN(CCCC(=O)O)N=O
InChI
InChI=1S/C6H12N2O3/c1-2-8(7-11)5-3-4-6(9)10/h2-5H2,1H3,(H,9,10)
InChIKey
KQCXYYVZPUYXDQ-UHFFFAOYSA-N
Compound name
4-[ethyl(nitroso)amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

160.0848 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.092076 132.9
[M+Na]+ 183.074018 138.7
[M-H]- 159.077524 134.5
[M+NH4]+ 178.118623 153.5
[M+K]+ 199.047958 140.5
[M+H-H2O]+ 143.082060 126.9
[M+HCOO]- 205.083001 159.3
[M+CH3COO]- 219.098651 185.4
[M+Na-2H]- 181.059466 138.4
[M]+ 160.08425142 136.0
[M]- 160.08534858 136.0
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