CID 10084877

127896-08-6

Structural Information

Molecular Formula
C18H15NO2
SMILES
C#CCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C18H15NO2/c1-2-11-19-18(20)21-12-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h1,3-10,17H,11-12H2,(H,19,20)
InChIKey
WVWNQUIGNHTEJW-UHFFFAOYSA-N
Compound name
9H-fluoren-9-ylmethyl N-prop-2-ynylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

277.1103 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11758 171.4
[M+Na]+ 300.09952 182.2
[M-H]- 276.10302 174.4
[M+NH4]+ 295.14412 188.8
[M+K]+ 316.07346 173.0
[M+H-H2O]+ 260.10756 158.7
[M+HCOO]- 322.10850 188.1
[M+CH3COO]- 336.12415 181.3
[M+Na-2H]- 298.08497 174.4
[M]+ 277.10975 167.6
[M]- 277.11085 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe