CID 211257

Spiro(1,3-benzodioxole-2,1'-cyclohexan)-4-ol, methylcarbamate

Structural Information

Molecular Formula
C14H17NO4
SMILES
CNC(=O)OC1=CC=CC2=C1OC3(O2)CCCCC3
InChI
InChI=1S/C14H17NO4/c1-15-13(16)17-10-6-5-7-11-12(10)19-14(18-11)8-3-2-4-9-14/h5-7H,2-4,8-9H2,1H3,(H,15,16)
InChIKey
IYYOBPXUABEUJR-UHFFFAOYSA-N
Compound name
spiro[1,3-benzodioxole-2,1'-cyclohexane]-4-yl N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.11575 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.12303 159.1
[M+Na]+ 286.10497 169.0
[M+NH4]+ 281.14957 168.6
[M+K]+ 302.07891 164.1
[M-H]- 262.10847 164.5
[M+Na-2H]- 284.09042 163.6
[M]+ 263.11520 162.0
[M]- 263.11630 162.0
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.