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]+ 264.09001 156.8
[M+Na]+ 286.07195 163.1
[M-H]- 262.07545 160.2
[M+NH4]+ 281.11655 177.3
[M+K]+ 302.04589 162.5
[M+H-H2O]+ 246.07999 153.0
[M+HCOO]- 308.08093 172.7
[M+CH3COO]- 322.09658 190.8
[M+Na-2H]- 284.05740 158.2
[M]+ 263.08218 159.6
[M]- 263.08328 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.