CID 137935825

2253630-57-6

Structural Information

Molecular Formula
C10H15NO3
SMILES
COC(=O)C1=CC2(CCNCC2)OC1
InChI
InChI=1S/C10H15NO3/c1-13-9(12)8-6-10(14-7-8)2-4-11-5-3-10/h6,11H,2-5,7H2,1H3
InChIKey
VMQXBTHBYSCFMS-UHFFFAOYSA-N
Compound name
methyl 1-oxa-8-azaspiro[4.5]dec-3-ene-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.1052 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.11248 143.4
[M+Na]+ 220.09442 148.8
[M-H]- 196.09792 146.3
[M+NH4]+ 215.13902 163.0
[M+K]+ 236.06836 148.3
[M+H-H2O]+ 180.10246 137.4
[M+HCOO]- 242.10340 160.2
[M+CH3COO]- 256.11905 176.7
[M+Na-2H]- 218.07987 147.9
[M]+ 197.10465 139.3
[M]- 197.10575 139.3
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.