CID 2736488

N-(9-fluorenylmethoxycarbonyl)-3-aminopropan-1-ol

Structural Information

Molecular Formula
C18H19NO3
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCCO
InChI
InChI=1S/C18H19NO3/c20-11-5-10-19-18(21)22-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17,20H,5,10-12H2,(H,19,21)
InChIKey
GNXZNUJDAMSJFZ-UHFFFAOYSA-N
Compound name
9H-fluoren-9-ylmethyl N-(3-hydroxypropyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

192
Patents

297.1365 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.143776 168.4
[M+Na]+ 320.125718 174.9
[M-H]- 296.129224 172.2
[M+NH4]+ 315.170323 186.6
[M+K]+ 336.099658 170.3
[M+H-H2O]+ 280.133760 161.7
[M+HCOO]- 342.134701 189.7
[M+CH3COO]- 356.150351 203.0
[M+Na-2H]- 318.111166 173.1
[M]+ 297.13595142 170.8
[M]- 297.13704858 170.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe