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]+ 261.10005 151.0
[M+Na]+ 283.08199 158.1
[M-H]- 259.08549 154.6
[M+NH4]+ 278.12659 162.7
[M+K]+ 299.05593 159.8
[M+H-H2O]+ 243.09003 141.3
[M+HCOO]- 305.09097 162.8
[M+CH3COO]- 319.10662 193.5
[M+Na-2H]- 281.06744 155.8
[M]+ 260.09222 163.5
[M]- 260.09332 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.