CID 165992145

En300-6940847

Structural Information

Molecular Formula
C20H19NO2
SMILES
C#CCCCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H19NO2/c1-2-3-8-13-21-20(22)23-14-19-17-11-6-4-9-15(17)16-10-5-7-12-18(16)19/h1,4-7,9-12,19H,3,8,13-14H2,(H,21,22)
InChIKey
FCZPWURVESVQTC-UHFFFAOYSA-N
Compound name
9H-fluoren-9-ylmethyl N-pent-4-ynylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.14157 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.148846 179.5
[M+Na]+ 328.130788 189.4
[M-H]- 304.134294 182.1
[M+NH4]+ 323.175393 195.8
[M+K]+ 344.104728 179.8
[M+H-H2O]+ 288.138830 166.4
[M+HCOO]- 350.139771 195.5
[M+CH3COO]- 364.155421 212.9
[M+Na-2H]- 326.116236 181.5
[M]+ 305.14102142 176.2
[M]- 305.14211858 176.2
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.