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

26
Patents

189.10011 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.10739 142.2
[M+Na]+ 212.08933 147.3
[M-H]- 188.09283 140.7
[M+NH4]+ 207.13393 160.6
[M+K]+ 228.06327 147.2
[M+H-H2O]+ 172.09737 136.6
[M+HCOO]- 234.09831 164.2
[M+CH3COO]- 248.11396 182.7
[M+Na-2H]- 210.07478 145.4
[M]+ 189.09956 144.4
[M]- 189.10066 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