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

73
Patents

291.12592 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.133196 175.4
[M+Na]+ 314.115138 185.8
[M-H]- 290.118644 178.2
[M+NH4]+ 309.159743 192.3
[M+K]+ 330.089078 176.4
[M+H-H2O]+ 274.123180 162.6
[M+HCOO]- 336.124121 191.8
[M+CH3COO]- 350.139771 210.2
[M+Na-2H]- 312.100586 177.9
[M]+ 291.12537142 171.9
[M]- 291.12646858 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