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

41
Patents

313.1314 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13868 171.5
[M+Na]+ 336.12062 176.9
[M-H]- 312.12412 173.9
[M+NH4]+ 331.16522 188.0
[M+K]+ 352.09456 172.9
[M+H-H2O]+ 296.12866 165.0
[M+HCOO]- 358.12960 190.3
[M+CH3COO]- 372.14525 203.8
[M+Na-2H]- 334.10607 174.7
[M]+ 313.13085 172.8
[M]- 313.13195 172.8
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