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 161.8
[M+Na]+ 312.12399 168.5
[M-H]- 288.12749 168.6
[M+NH4]+ 307.16859 174.6
[M+K]+ 328.09793 164.8
[M+H-H2O]+ 272.13203 156.1
[M+HCOO]- 334.13297 177.5
[M+CH3COO]- 348.14862 202.3
[M+Na-2H]- 310.10944 161.1
[M]+ 289.13422 167.0
[M]- 289.13532 167.0
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