CID 45480526

630421-48-6

Structural Information

Molecular Formula
C14H22N2O5S
SMILES
CC(C)(C)OC(=O)N[C@@]1(C[C@H]1C=C)C(=O)NS(=O)(=O)C2CC2
InChI
InChI=1S/C14H22N2O5S/c1-5-9-8-14(9,15-12(18)21-13(2,3)4)11(17)16-22(19,20)10-6-7-10/h5,9-10H,1,6-8H2,2-4H3,(H,15,18)(H,16,17)/t9-,14-/m1/s1
InChIKey
MEUACYDRISHUAQ-YMTOWFKASA-N
Compound name
tert-butyl N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

188
Patents

330.12494 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.13222 173.5
[M+Na]+ 353.11416 177.9
[M-H]- 329.11766 179.5
[M+NH4]+ 348.15876 178.2
[M+K]+ 369.08810 175.5
[M+H-H2O]+ 313.12220 169.9
[M+HCOO]- 375.12314 185.7
[M+CH3COO]- 389.13879 216.2
[M+Na-2H]- 351.09961 175.1
[M]+ 330.12439 181.1
[M]- 330.12549 181.1
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

patents stripe