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]+ 250.074376 152.4
[M+Na]+ 272.056318 160.5
[M-H]- 248.059824 156.7
[M+NH4]+ 267.100923 166.6
[M+K]+ 288.030258 158.8
[M+H-H2O]+ 232.064360 148.3
[M+HCOO]- 294.065301 168.4
[M+CH3COO]- 308.080951 191.9
[M+Na-2H]- 270.041766 158.2
[M]+ 249.06655142 160.1
[M]- 249.06764858 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