CID 146082374

2649081-89-8

Structural Information

Molecular Formula
C11H17ClN2O3
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(=NO2)CCl
InChI
InChI=1S/C11H17ClN2O3/c1-10(2,3)16-9(15)14-6-11(7-14)4-8(5-12)13-17-11/h4-7H2,1-3H3
InChIKey
KTZSPHXLIKPVFU-UHFFFAOYSA-N
Compound name
tert-butyl 7-(chloromethyl)-5-oxa-2,6-diazaspiro[3.4]oct-6-ene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.09277 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.100046 151.0
[M+Na]+ 283.081988 158.1
[M-H]- 259.085494 154.6
[M+NH4]+ 278.126593 162.7
[M+K]+ 299.055928 159.8
[M+H-H2O]+ 243.090030 141.3
[M+HCOO]- 305.090971 162.8
[M+CH3COO]- 319.106621 193.5
[M+Na-2H]- 281.067436 155.8
[M]+ 260.09222142 163.5
[M]- 260.09331858 163.5
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

No patent data available for this compound.