CID 9154966

3-[(3-methoxypropyl)carbamoyl]propanoic acid

Structural Information

Molecular Formula
C8H15NO4
SMILES
COCCCNC(=O)CCC(=O)O
InChI
InChI=1S/C8H15NO4/c1-13-6-2-5-9-7(10)3-4-8(11)12/h2-6H2,1H3,(H,9,10)(H,11,12)
InChIKey
UXOIXUFGPJNQNR-UHFFFAOYSA-N
Compound name
4-(3-methoxypropylamino)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

189.10011 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.107386 142.2
[M+Na]+ 212.089328 147.3
[M-H]- 188.092834 140.7
[M+NH4]+ 207.133933 160.6
[M+K]+ 228.063268 147.2
[M+H-H2O]+ 172.097370 136.6
[M+HCOO]- 234.098311 164.2
[M+CH3COO]- 248.113961 182.7
[M+Na-2H]- 210.074776 145.4
[M]+ 189.09956142 144.4
[M]- 189.10065858 144.4
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