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 157.2
[M+Na]+ 280.13079 165.4
[M-H]- 256.13429 164.4
[M+NH4]+ 275.17539 176.6
[M+K]+ 296.10473 160.9
[M+H-H2O]+ 240.13883 152.5
[M+HCOO]- 302.13977 177.4
[M+CH3COO]- 316.15542 169.2
[M+Na-2H]- 278.11624 161.7
[M]+ 257.14102 160.3
[M]- 257.14212 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.