CID 211255

22781-25-5

Structural Information

Molecular Formula
C13H15NO4
SMILES
CNC(=O)OC1=CC=CC2=C1OC3(O2)CCCC3
InChI
InChI=1S/C13H15NO4/c1-14-12(15)16-9-5-4-6-10-11(9)18-13(17-10)7-2-3-8-13/h4-6H,2-3,7-8H2,1H3,(H,14,15)
InChIKey
WWLOOFVJDXLDAS-UHFFFAOYSA-N
Compound name
spiro[1,3-benzodioxole-2,1'-cyclopentane]-4-yl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.10011 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.10739 153.4
[M+Na]+ 272.08933 160.4
[M-H]- 248.09283 161.3
[M+NH4]+ 267.13393 174.4
[M+K]+ 288.06327 160.6
[M+H-H2O]+ 232.09737 148.8
[M+HCOO]- 294.09831 174.3
[M+CH3COO]- 308.11396 191.0
[M+Na-2H]- 270.07478 159.0
[M]+ 249.09956 154.6
[M]- 249.10066 154.6
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.