CID 3038362

Brn 0225123

Structural Information

Molecular Formula
C10H14N2O3S
SMILES
CC1CC(C(=O)O1)(CC=C)C(=O)NC(=S)N
InChI
InChI=1S/C10H14N2O3S/c1-3-4-10(7(13)12-9(11)16)5-6(2)15-8(10)14/h3,6H,1,4-5H2,2H3,(H3,11,12,13,16)
InChIKey
QTIRSDKZFBVNJA-UHFFFAOYSA-N
Compound name
N-carbamothioyl-5-methyl-2-oxo-3-prop-2-enyloxolane-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.07251 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.07979 153.9
[M+Na]+ 265.06173 160.1
[M-H]- 241.06523 157.4
[M+NH4]+ 260.10633 173.3
[M+K]+ 281.03567 158.2
[M+H-H2O]+ 225.06977 149.3
[M+HCOO]- 287.07071 170.1
[M+CH3COO]- 301.08636 193.3
[M+Na-2H]- 263.04718 153.3
[M]+ 242.07196 153.3
[M]- 242.07306 153.3
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

No patent data available for this compound.