CID 167721818

Methyl 2-{6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl}acetate hydrochloride

Structural Information

Molecular Formula
C8H12N2O4
SMILES
COC(=O)CN1C(=O)OCC12CNC2
InChI
InChI=1S/C8H12N2O4/c1-13-6(11)2-10-7(12)14-5-8(10)3-9-4-8/h9H,2-5H2,1H3
InChIKey
VTHOMZPQBWZNKU-UHFFFAOYSA-N
Compound name
methyl 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.07971 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.08699 137.4
[M+Na]+ 223.06893 142.9
[M-H]- 199.07243 139.5
[M+NH4]+ 218.11353 149.3
[M+K]+ 239.04287 146.1
[M+H-H2O]+ 183.07697 127.0
[M+HCOO]- 245.07791 153.5
[M+CH3COO]- 259.09356 181.4
[M+Na-2H]- 221.05438 141.7
[M]+ 200.07916 145.3
[M]- 200.08026 145.3
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.