CID 2474339

851722-08-2

Structural Information

Molecular Formula
C15H19NO3
SMILES
CC1=CC=C(C=C1)NC(=O)CC2(CCCC2)C(=O)O
InChI
InChI=1S/C15H19NO3/c1-11-4-6-12(7-5-11)16-13(17)10-15(14(18)19)8-2-3-9-15/h4-7H,2-3,8-10H2,1H3,(H,16,17)(H,18,19)
InChIKey
ZZWGUDYANPFSHY-UHFFFAOYSA-N
Compound name
1-[2-(4-methylanilino)-2-oxoethyl]cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.1365 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.14378 161.3
[M+Na]+ 284.12572 165.8
[M-H]- 260.12922 166.2
[M+NH4]+ 279.17032 180.2
[M+K]+ 300.09966 163.0
[M+H-H2O]+ 244.13376 155.2
[M+HCOO]- 306.13470 181.8
[M+CH3COO]- 320.15035 194.2
[M+Na-2H]- 282.11117 162.6
[M]+ 261.13595 158.4
[M]- 261.13705 158.4
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

No patent data available for this compound.