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

13
Patents

175.08446 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.09174 137.4
[M+Na]+ 198.07368 143.3
[M-H]- 174.07718 137.7
[M+NH4]+ 193.11828 157.2
[M+K]+ 214.04762 144.9
[M+H-H2O]+ 158.08172 132.0
[M+HCOO]- 220.08266 160.3
[M+CH3COO]- 234.09831 182.5
[M+Na-2H]- 196.05913 140.4
[M]+ 175.08391 140.5
[M]- 175.08501 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