CID 66545223

1380486-16-7

Structural Information

Molecular Formula
C14H19NO3
SMILES
C1C[C@H](C[C@H]1CO)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H19NO3/c16-9-12-6-7-13(8-12)15-14(17)18-10-11-4-2-1-3-5-11/h1-5,12-13,16H,6-10H2,(H,15,17)/t12-,13+/m0/s1
InChIKey
FDKXYQLCKKQFKQ-QWHCGFSZSA-N
Compound name
benzyl N-[(1R,3S)-3-(hydroxymethyl)cyclopentyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.13649 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 159.2
[M+Na]+ 272.12571 168.1
[M+NH4]+ 267.17031 166.4
[M+K]+ 288.09965 164.2
[M-H]- 248.12921 161.7
[M+Na-2H]- 270.11116 164.1
[M]+ 249.13594 160.8
[M]- 249.13704 160.8
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

No patent data available for this compound.