CID 121376125

1942058-91-4

Structural Information

Molecular Formula
C19H17NO2
SMILES
C#CCCNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C19H17NO2/c1-2-3-12-20-19(21)22-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h1,4-11,18H,3,12-13H2,(H,20,21)
InChIKey
PRTBWYCJMOEBIA-UHFFFAOYSA-N
Compound name
9H-fluoren-9-ylmethyl N-but-3-ynylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

291.12592 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.13320 175.4
[M+Na]+ 314.11514 185.8
[M-H]- 290.11864 178.2
[M+NH4]+ 309.15974 192.3
[M+K]+ 330.08908 176.4
[M+H-H2O]+ 274.12318 162.6
[M+HCOO]- 336.12412 191.8
[M+CH3COO]- 350.13977 210.2
[M+Na-2H]- 312.10059 177.9
[M]+ 291.12537 171.9
[M]- 291.12647 171.9
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

patents stripe