CID 218204

40374-18-3

Structural Information

Molecular Formula
C16H19NO5
SMILES
CC(=O)N(C)C(=O)OC1=CC=CC2=C1OC3(O2)CCCCC3
InChI
InChI=1S/C16H19NO5/c1-11(18)17(2)15(19)20-12-7-6-8-13-14(12)22-16(21-13)9-4-3-5-10-16/h6-8H,3-5,9-10H2,1-2H3
InChIKey
WGCDPRJZQCZMQA-UHFFFAOYSA-N
Compound name
spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-yl N-acetyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1263 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.13358 169.1
[M+Na]+ 328.11552 173.9
[M-H]- 304.11902 177.5
[M+NH4]+ 323.16012 186.3
[M+K]+ 344.08946 175.7
[M+H-H2O]+ 288.12356 162.9
[M+HCOO]- 350.12450 186.5
[M+CH3COO]- 364.14015 205.4
[M+Na-2H]- 326.10097 172.9
[M]+ 305.12575 170.2
[M]- 305.12685 170.2
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.