CID 110795

6159-12-2

Structural Information

Molecular Formula
C14H19NO4
SMILES
C1CCC2=C(C1)C=CC(=C2)OCC(COC(=O)N)O
InChI
InChI=1S/C14H19NO4/c15-14(17)19-9-12(16)8-18-13-6-5-10-3-1-2-4-11(10)7-13/h5-7,12,16H,1-4,8-9H2,(H2,15,17)
InChIKey
NWSILLQQTSAKHH-UHFFFAOYSA-N
Compound name
[2-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propyl] carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1314 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.138676 159.5
[M+Na]+ 288.120618 163.1
[M-H]- 264.124124 161.0
[M+NH4]+ 283.165223 175.3
[M+K]+ 304.094558 161.2
[M+H-H2O]+ 248.128660 152.6
[M+HCOO]- 310.129601 177.2
[M+CH3COO]- 324.145251 196.1
[M+Na-2H]- 286.106066 162.2
[M]+ 265.13085142 157.6
[M]- 265.13194858 157.6
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.