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 166.6
[M+Na]+ 304.06139 172.5
[M-H]- 280.06489 171.8
[M+NH4]+ 299.10599 188.8
[M+K]+ 320.03533 170.3
[M+H-H2O]+ 264.06943 163.7
[M+HCOO]- 326.07037 181.2
[M+CH3COO]- 340.08602 196.6
[M+Na-2H]- 302.04684 162.4
[M]+ 281.07162 167.0
[M]- 281.07272 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