CID 58558091

Ethyl 4-(cyclopropanesulfonamido)-2-ethylcyclopentanecarboxylate

Structural Information

Molecular Formula
C13H23NO4S
SMILES
CCC1CC(CC1C(=O)OCC)NS(=O)(=O)C2CC2
InChI
InChI=1S/C13H23NO4S/c1-3-9-7-10(8-12(9)13(15)18-4-2)14-19(16,17)11-5-6-11/h9-12,14H,3-8H2,1-2H3
InChIKey
LPTIQVOAZCNTJU-UHFFFAOYSA-N
Compound name
ethyl 4-(cyclopropylsulfonylamino)-2-ethylcyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

289.13477 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.14205 168.5
[M+Na]+ 312.12399 176.1
[M+NH4]+ 307.16859 175.1
[M+K]+ 328.09793 173.6
[M-H]- 288.12749 175.6
[M+Na-2H]- 310.10944 172.4
[M]+ 289.13422 172.7
[M]- 289.13532 172.7
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

patents stripe