CID 86290064

Dimethenamid oxa

Structural Information

Molecular Formula
C12H17NO4S
SMILES
CC1=CSC(=C1N(C(C)COC)C(=O)C(=O)O)C
InChI
InChI=1S/C12H17NO4S/c1-7-6-18-9(3)10(7)13(8(2)5-17-4)11(14)12(15)16/h6,8H,5H2,1-4H3,(H,15,16)
InChIKey
HOYCASTVMCEOTP-UHFFFAOYSA-N
Compound name
2-[(2,4-dimethylthiophen-3-yl)-(1-methoxypropan-2-yl)amino]-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

271.08783 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09511 162.7
[M+Na]+ 294.07705 168.8
[M-H]- 270.08055 166.7
[M+NH4]+ 289.12165 181.1
[M+K]+ 310.05099 168.3
[M+H-H2O]+ 254.08509 156.8
[M+HCOO]- 316.08603 179.7
[M+CH3COO]- 330.10168 200.0
[M+Na-2H]- 292.06250 158.8
[M]+ 271.08728 168.3
[M]- 271.08838 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.