CID 3064726

Chf 1203

Structural Information

Molecular Formula
C13H15NO4S
SMILES
C1CSC(=O)C1NC(=O)C2C3CC(C2C(=O)O)C=C3
InChI
InChI=1S/C13H15NO4S/c15-11(14-8-3-4-19-13(8)18)9-6-1-2-7(5-6)10(9)12(16)17/h1-2,6-10H,3-5H2,(H,14,15)(H,16,17)
InChIKey
DFOHOUOHNYPTFV-UHFFFAOYSA-N
Compound name
3-[(2-oxothiolan-3-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

281.07217 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.07945 164.1
[M+Na]+ 304.06139 168.3
[M+NH4]+ 299.10599 171.0
[M+K]+ 320.03533 168.7
[M-H]- 280.06489 163.7
[M+Na-2H]- 302.04684 162.6
[M]+ 281.07162 164.3
[M]- 281.07272 164.3
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