CID 18442970

4-[(methoxycarbonyl)(methyl)amino]butanoic acid

Structural Information

Molecular Formula
C7H13NO4
SMILES
CN(CCCC(=O)O)C(=O)OC
InChI
InChI=1S/C7H13NO4/c1-8(7(11)12-2)5-3-4-6(9)10/h3-5H2,1-2H3,(H,9,10)
InChIKey
ITGQKWNOLNWCKZ-UHFFFAOYSA-N
Compound name
4-[methoxycarbonyl(methyl)amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

175.08446 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.091736 137.4
[M+Na]+ 198.073678 143.3
[M-H]- 174.077184 137.7
[M+NH4]+ 193.118283 157.2
[M+K]+ 214.047618 144.9
[M+H-H2O]+ 158.081720 132.0
[M+HCOO]- 220.082661 160.3
[M+CH3COO]- 234.098311 182.5
[M+Na-2H]- 196.059126 140.4
[M]+ 175.08391142 140.5
[M]- 175.08500858 140.5
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