CID 16777251

4-(cyclopropylformamido)butanoic acid

Structural Information

Molecular Formula

C₈H₁₃NO₃

SMILES

C1CC1C(=O)NCCCC(=O)O

InChI

InChI=1S/C8H13NO3/c10-7(11)2-1-5-9-8(12)6-3-4-6/h6H,1-5H2,(H,9,12)(H,10,11)

InChIKey

FBQKZCUKSMUAID-UHFFFAOYSA-N

Compound name

4-(cyclopropanecarbonylamino)butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 171.08954 Da
Monoisotopic Mass: -0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	172.096816	135.9
[M+Na]+	194.078758	143.2
[M-H]-	170.082264	139.0
[M+NH4]+	189.123363	150.4
[M+K]+	210.052698	140.7
[M+H-H2O]+	154.086800	130.0
[M+HCOO]-	216.087741	158.1
[M+CH3COO]-	230.103391	182.4
[M+Na-2H]-	192.064206	140.0
[M]+	171.08899142	138.2
[M]-	171.09008858	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe