CID 21721284

4-[(methoxycarbonyl)amino]butanoic acid

Structural Information

Molecular Formula
C6H11NO4
SMILES
COC(=O)NCCCC(=O)O
InChI
InChI=1S/C6H11NO4/c1-11-6(10)7-4-2-3-5(8)9/h2-4H2,1H3,(H,7,10)(H,8,9)
InChIKey
NRNSATHMPHIAMT-UHFFFAOYSA-N
Compound name
4-(methoxycarbonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

161.0688 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.076076 133.2
[M+Na]+ 184.058018 139.2
[M-H]- 160.061524 132.1
[M+NH4]+ 179.102623 152.8
[M+K]+ 200.031958 139.7
[M+H-H2O]+ 144.066060 128.1
[M+HCOO]- 206.067001 155.9
[M+CH3COO]- 220.082651 176.0
[M+Na-2H]- 182.043466 137.4
[M]+ 161.06825142 134.6
[M]- 161.06934858 134.6
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