CID 145710595

2279127-15-8

Structural Information

Molecular Formula
C10H17NO6S
SMILES
CC(C)(C)OC(=O)NC(C1CS(=O)(=O)C1)C(=O)O
InChI
InChI=1S/C10H17NO6S/c1-10(2,3)17-9(14)11-7(8(12)13)6-4-18(15,16)5-6/h6-7H,4-5H2,1-3H3,(H,11,14)(H,12,13)
InChIKey
ZESHDPYTLLIPHF-UHFFFAOYSA-N
Compound name
2-(1,1-dioxothietan-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.07767 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.084946 161.5
[M+Na]+ 302.066888 163.4
[M-H]- 278.070394 162.5
[M+NH4]+ 297.111493 171.1
[M+K]+ 318.040828 166.5
[M+H-H2O]+ 262.074930 150.7
[M+HCOO]- 324.075871 172.9
[M+CH3COO]- 338.091521 197.1
[M+Na-2H]- 300.052336 161.2
[M]+ 279.07712142 172.5
[M]- 279.07821858 172.5
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.