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]+ 306.14885 179.5
[M+Na]+ 328.13079 189.4
[M-H]- 304.13429 182.1
[M+NH4]+ 323.17539 195.8
[M+K]+ 344.10473 179.8
[M+H-H2O]+ 288.13883 166.4
[M+HCOO]- 350.13977 195.5
[M+CH3COO]- 364.15542 212.9
[M+Na-2H]- 326.11624 181.5
[M]+ 305.14102 176.2
[M]- 305.14212 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.