CID 137964553

2225816-09-9

Structural Information

Molecular Formula
C10H18N2O3S
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CS(=N)(=O)C2
InChI
InChI=1S/C10H18N2O3S/c1-9(2,3)15-8(13)12-4-10(5-12)6-16(11,14)7-10/h11H,4-7H2,1-3H3
InChIKey
YRJBEFAWMNYWDS-UHFFFAOYSA-N
Compound name
tert-butyl 2-imino-2-oxo-2lambda6-thia-6-azaspiro[3.3]heptane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.10382 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.11110 149.9
[M+Na]+ 269.09304 152.3
[M-H]- 245.09654 153.1
[M+NH4]+ 264.13764 156.2
[M+K]+ 285.06698 156.8
[M+H-H2O]+ 229.10108 135.7
[M+HCOO]- 291.10202 160.5
[M+CH3COO]- 305.11767 201.4
[M+Na-2H]- 267.07849 153.0
[M]+ 246.10327 166.8
[M]- 246.10437 166.8
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.