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]+ 220.10019 145.3
[M+Na]+ 242.08213 153.5
[M-H]- 218.08563 149.8
[M+NH4]+ 237.12673 161.0
[M+K]+ 258.05607 151.8
[M+H-H2O]+ 202.09017 141.3
[M+HCOO]- 264.09111 160.8
[M+CH3COO]- 278.10676 189.4
[M+Na-2H]- 240.06758 150.7
[M]+ 219.09236 151.0
[M]- 219.09346 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.