CID 66545223

Benzyl n-[(1r,3s)-3-(hydroxymethyl)cyclopentyl]carbamate

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 157.7
[M+Na]+ 272.12571 161.6
[M-H]- 248.12921 162.3
[M+NH4]+ 267.17031 175.2
[M+K]+ 288.09965 158.9
[M+H-H2O]+ 232.13375 150.6
[M+HCOO]- 294.13469 179.3
[M+CH3COO]- 308.15034 190.9
[M+Na-2H]- 270.11116 159.4
[M]+ 249.13594 155.2
[M]- 249.13704 155.2
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.