CID 4428632

167700-44-9

Structural Information

Molecular Formula

C₁₈H₁₉NO₄

SMILES

C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC(CO)O

InChI

InChI=1S/C18H19NO4/c20-10-12(21)9-19-18(22)23-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17,20-21H,9-11H2,(H,19,22)

InChIKey

NNCJPXRPGPIUPM-UHFFFAOYSA-N

Compound name

9H-fluoren-9-ylmethyl N-(2,3-dihydroxypropyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 313.1314 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	314.138676	171.5
[M+Na]+	336.120618	176.9
[M-H]-	312.124124	173.9
[M+NH4]+	331.165223	188.0
[M+K]+	352.094558	172.9
[M+H-H2O]+	296.128660	165.0
[M+HCOO]-	358.129601	190.3
[M+CH3COO]-	372.145251	203.8
[M+Na-2H]-	334.106066	174.7
[M]+	313.13085142	172.8
[M]-	313.13194858	172.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe