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

24
Patents

160.0848 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09208 132.9
[M+Na]+ 183.07402 138.7
[M-H]- 159.07752 134.5
[M+NH4]+ 178.11862 153.5
[M+K]+ 199.04796 140.5
[M+H-H2O]+ 143.08206 126.9
[M+HCOO]- 205.08300 159.3
[M+CH3COO]- 219.09865 185.4
[M+Na-2H]- 181.05947 138.4
[M]+ 160.08425 136.0
[M]- 160.08535 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