CID 218203

40374-17-2

Structural Information

Molecular Formula
C15H17NO5
SMILES
CC(=O)N(C)C(=O)OC1=CC=CC2=C1OC3(O2)CCCC3
InChI
InChI=1S/C15H17NO5/c1-10(17)16(2)14(18)19-11-6-5-7-12-13(11)21-15(20-12)8-3-4-9-15/h5-7H,3-4,8-9H2,1-2H3
InChIKey
JLDSAEKNILZWDY-UHFFFAOYSA-N
Compound name
spiro[1,3-benzodioxole-2,1'-cyclopentane]-4-yl N-acetyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1107 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11798 165.8
[M+Na]+ 314.09992 171.8
[M-H]- 290.10342 174.9
[M+NH4]+ 309.14452 185.5
[M+K]+ 330.07386 173.7
[M+H-H2O]+ 274.10796 161.2
[M+HCOO]- 336.10890 185.8
[M+CH3COO]- 350.12455 202.0
[M+Na-2H]- 312.08537 168.7
[M]+ 291.11015 168.9
[M]- 291.11125 168.9
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.