CID 595720

4-[(2-methyl-4,5,6,7-tetrahydro-benzofuran-3-carbonyl)-amino]-butyric acid

Structural Information

Molecular Formula
C14H19NO4
SMILES
CC1=C(C2=C(O1)CCCC2)C(=O)NCCCC(=O)O
InChI
InChI=1S/C14H19NO4/c1-9-13(10-5-2-3-6-11(10)19-9)14(18)15-8-4-7-12(16)17/h2-8H2,1H3,(H,15,18)(H,16,17)
InChIKey
JDYVVIFWXCTKNH-UHFFFAOYSA-N
Compound name
4-[(2-methyl-4,5,6,7-tetrahydro-1-benzofuran-3-carbonyl)amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

265.1314 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13868 161.4
[M+Na]+ 288.12062 166.3
[M-H]- 264.12412 164.5
[M+NH4]+ 283.16522 178.3
[M+K]+ 304.09456 164.9
[M+H-H2O]+ 248.12866 155.6
[M+HCOO]- 310.12960 179.7
[M+CH3COO]- 324.14525 197.1
[M+Na-2H]- 286.10607 162.9
[M]+ 265.13085 161.5
[M]- 265.13195 161.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.