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 157.4
[M+Na]+ 286.10497 163.1
[M-H]- 262.10847 164.6
[M+NH4]+ 281.14957 175.8
[M+K]+ 302.07891 163.2
[M+H-H2O]+ 246.11301 151.3
[M+HCOO]- 308.11395 175.6
[M+CH3COO]- 322.12960 194.3
[M+Na-2H]- 284.09042 163.9
[M]+ 263.11520 156.6
[M]- 263.11630 156.6
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.