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 158.3
[M+Na]+ 269.05665 172.1
[M-H]- 245.06015 164.9
[M+NH4]+ 264.10125 173.2
[M+K]+ 285.03059 168.2
[M+H-H2O]+ 229.06469 150.5
[M+HCOO]- 291.06563 172.8
[M+CH3COO]- 305.08128 202.9
[M+Na-2H]- 267.04210 164.7
[M]+ 246.06688 161.5
[M]- 246.06798 161.5
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