CID 177800305

Tert-butyl 1-[imino(methyl)oxo-lambda6-sulfanyl]cyclopropane-1-carboxylate

Structural Information

Molecular Formula
C9H17NO3S
SMILES
CC(C)(C)OC(=O)C1(CC1)S(=N)(=O)C
InChI
InChI=1S/C9H17NO3S/c1-8(2,3)13-7(11)9(5-6-9)14(4,10)12/h10H,5-6H2,1-4H3
InChIKey
ANBRIAMIQUQOQW-UHFFFAOYSA-N
Compound name
tert-butyl 1-(methylsulfonimidoyl)cyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.09291 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.100186 145.3
[M+Na]+ 242.082128 153.5
[M-H]- 218.085634 149.8
[M+NH4]+ 237.126733 161.0
[M+K]+ 258.056068 151.8
[M+H-H2O]+ 202.090170 141.3
[M+HCOO]- 264.091111 160.8
[M+CH3COO]- 278.106761 189.4
[M+Na-2H]- 240.067576 150.7
[M]+ 219.09236142 151.0
[M]- 219.09345858 151.0
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

No patent data available for this compound.