CID 68030208

1356551-41-1

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

C1CC1(C2=CC=C(C=C2)C(=O)N)C(=O)O

InChI

InChI=1S/C11H11NO3/c12-9(13)7-1-3-8(4-2-7)11(5-6-11)10(14)15/h1-4H,5-6H2,(H2,12,13)(H,14,15)

InChIKey

HPXNTAWHBYFNQI-UHFFFAOYSA-N

Compound name

1-(4-carbamoylphenyl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 205.0739 Da
Monoisotopic Mass: 0.6
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]+	206.081176	140.8
[M+Na]+	228.063118	149.7
[M-H]-	204.066624	147.1
[M+NH4]+	223.107723	155.6
[M+K]+	244.037058	146.9
[M+H-H2O]+	188.071160	135.8
[M+HCOO]-	250.072101	162.9
[M+CH3COO]-	264.087751	187.6
[M+Na-2H]-	226.048566	145.6
[M]+	205.07335142	141.9
[M]-	205.07444858	141.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe