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

0
Patents

311.15213 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15941 173.9
[M+Na]+ 334.14135 179.6
[M-H]- 310.14485 177.6
[M+NH4]+ 329.18595 191.4
[M+K]+ 350.11529 175.3
[M+H-H2O]+ 294.14939 167.2
[M+HCOO]- 356.15033 193.8
[M+CH3COO]- 370.16598 206.8
[M+Na-2H]- 332.12680 176.8
[M]+ 311.15158 176.0
[M]- 311.15268 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

No patent data available for this compound.