CID 92178152

(9h-fluoren-9-yl)methyl n-[(2r)-1-hydroxybutan-2-yl]carbamate

Structural Information

Molecular Formula
C19H21NO3
SMILES
CC[C@H](CO)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C19H21NO3/c1-2-13(11-21)20-19(22)23-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18,21H,2,11-12H2,1H3,(H,20,22)/t13-/m1/s1
InChIKey
JJVATGCCSPHKKV-CYBMUJFWSA-N
Compound name
9H-fluoren-9-ylmethyl N-[(2R)-1-hydroxybutan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

311.15213 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.159406 173.9
[M+Na]+ 334.141348 179.6
[M-H]- 310.144854 177.6
[M+NH4]+ 329.185953 191.4
[M+K]+ 350.115288 175.3
[M+H-H2O]+ 294.149390 167.2
[M+HCOO]- 356.150331 193.8
[M+CH3COO]- 370.165981 206.8
[M+Na-2H]- 332.126796 176.8
[M]+ 311.15158142 176.0
[M]- 311.15267858 176.0
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