CID 137935490

2248399-59-7

Structural Information

Molecular Formula
C10H17NO5S
SMILES
CC(C)(C)OC(=O)N=S1(=O)CCCC1C(=O)O
InChI
InChI=1S/C10H17NO5S/c1-10(2,3)16-9(14)11-17(15)6-4-5-7(17)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)
InChIKey
ZLUVUHGJJUATSY-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonylimino]-1-oxothiolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.08273 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.090006 156.8
[M+Na]+ 286.071948 163.1
[M-H]- 262.075454 160.2
[M+NH4]+ 281.116553 177.3
[M+K]+ 302.045888 162.5
[M+H-H2O]+ 246.079990 153.0
[M+HCOO]- 308.080931 172.7
[M+CH3COO]- 322.096581 190.8
[M+Na-2H]- 284.057396 158.2
[M]+ 263.08218142 159.6
[M]- 263.08327858 159.6
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.