CID 12033415

1-[benzyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C13H15NO3
SMILES
CN(CC1=CC=CC=C1)C(=O)C2(CC2)C(=O)O
InChI
InChI=1S/C13H15NO3/c1-14(9-10-5-3-2-4-6-10)11(15)13(7-8-13)12(16)17/h2-6H,7-9H2,1H3,(H,16,17)
InChIKey
QBXKNSDAALYPNZ-UHFFFAOYSA-N
Compound name
1-[benzyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.1052 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.11248 155.3
[M+Na]+ 256.09442 166.8
[M+NH4]+ 251.13902 164.3
[M+K]+ 272.06836 161.8
[M-H]- 232.09792 164.6
[M+Na-2H]- 254.07987 165.1
[M]+ 233.10465 160.6
[M]- 233.10575 160.6
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

No patent data available for this compound.