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]+ 258.14885 161.5
[M+Na]+ 280.13079 172.2
[M+NH4]+ 275.17539 173.0
[M+K]+ 296.10473 168.2
[M-H]- 256.13429 171.3
[M+Na-2H]- 278.11624 168.2
[M]+ 257.14102 166.9
[M]- 257.14212 166.9
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.