CID 3056427

(tricyclo(3.2.1.0(sup 2,4))octyl)methyl carbanilate

Structural Information

Molecular Formula
C16H19NO2
SMILES
C1CC2(CC1C3C2C3)COC(=O)NC4=CC=CC=C4
InChI
InChI=1S/C16H19NO2/c18-15(17-12-4-2-1-3-5-12)19-10-16-7-6-11(9-16)13-8-14(13)16/h1-5,11,13-14H,6-10H2,(H,17,18)
InChIKey
LTQUXEZQIKGREG-UHFFFAOYSA-N
Compound name
1-tricyclo[3.2.1.02,4]octanylmethyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.14157 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.148846 157.2
[M+Na]+ 280.130788 165.4
[M-H]- 256.134294 164.4
[M+NH4]+ 275.175393 176.6
[M+K]+ 296.104728 160.9
[M+H-H2O]+ 240.138830 152.5
[M+HCOO]- 302.139771 177.4
[M+CH3COO]- 316.155421 169.2
[M+Na-2H]- 278.116236 161.7
[M]+ 257.14102142 160.3
[M]- 257.14211858 160.3
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.