CID 68947805

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

Structural Information

Molecular Formula
C9H14N2O4S
SMILES
CC(C)(C)OC(=O)NS(=O)(=O)C1(CC1)C#N
InChI
InChI=1S/C9H14N2O4S/c1-8(2,3)15-7(12)11-16(13,14)9(6-10)4-5-9/h4-5H2,1-3H3,(H,11,12)
InChIKey
AQSNWGFWRKQPIP-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-cyanocyclopropyl)sulfonylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

246.06743 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.07471 154.2
[M+Na]+ 269.05665 161.9
[M+NH4]+ 264.10125 158.1
[M+K]+ 285.03059 155.2
[M-H]- 245.06015 151.9
[M+Na-2H]- 267.04210 157.8
[M]+ 246.06688 155.1
[M]- 246.06798 155.1
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