CID 3064725

105441-20-1

Structural Information

Molecular Formula
C14H21NO4S
SMILES
CC1(C(CCC1(C)C(=O)O)C(=O)NC2CCSC2=O)C
InChI
InChI=1S/C14H21NO4S/c1-13(2)8(4-6-14(13,3)12(18)19)10(16)15-9-5-7-20-11(9)17/h8-9H,4-7H2,1-3H3,(H,15,16)(H,18,19)
InChIKey
ATVCYNBHYNPTPC-UHFFFAOYSA-N
Compound name
1,2,2-trimethyl-3-[(2-oxothiolan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

299.11914 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12642 169.4
[M+Na]+ 322.10836 173.6
[M+NH4]+ 317.15296 177.8
[M+K]+ 338.08230 168.8
[M-H]- 298.11186 169.2
[M+Na-2H]- 320.09381 172.5
[M]+ 299.11859 170.0
[M]- 299.11969 170.0
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