CID 126838784

2094675-81-5

Structural Information

Molecular Formula
C11H19NO6S
SMILES
CC(C)(C)OC(=O)NCC1(CC1S(=O)(=O)C)C(=O)O
InChI
InChI=1S/C11H19NO6S/c1-10(2,3)18-9(15)12-6-11(8(13)14)5-7(11)19(4,16)17/h7H,5-6H2,1-4H3,(H,12,15)(H,13,14)
InChIKey
WWGZCQOWPXEVQH-UHFFFAOYSA-N
Compound name
1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-methylsulfonylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.09332 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.10060 170.2
[M+Na]+ 316.08254 176.7
[M+NH4]+ 311.12714 175.6
[M+K]+ 332.05648 174.0
[M-H]- 292.08604 173.3
[M+Na-2H]- 314.06799 173.9
[M]+ 293.09277 173.3
[M]- 293.09387 173.3
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.