CID 57816679

Tert-butyl n-[(1-formylcyclopropyl)sulfonyl]carbamate

Structural Information

Molecular Formula
C9H15NO5S
SMILES
CC(C)(C)OC(=O)NS(=O)(=O)C1(CC1)C=O
InChI
InChI=1S/C9H15NO5S/c1-8(2,3)15-7(12)10-16(13,14)9(6-11)4-5-9/h6H,4-5H2,1-3H3,(H,10,12)
InChIKey
SHRAAPJUZKMNEU-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-formylcyclopropyl)sulfonylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

249.0671 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.07438 152.4
[M+Na]+ 272.05632 160.5
[M-H]- 248.05982 156.7
[M+NH4]+ 267.10092 166.6
[M+K]+ 288.03026 158.8
[M+H-H2O]+ 232.06436 148.3
[M+HCOO]- 294.06530 168.4
[M+CH3COO]- 308.08095 191.9
[M+Na-2H]- 270.04177 158.2
[M]+ 249.06655 160.1
[M]- 249.06765 160.1
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