CID 39736

2-piperidinoethyl phenylcarbamate

Structural Information

Molecular Formula
C14H20N2O2
SMILES
C1CCN(CC1)CCOC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C14H20N2O2/c17-14(15-13-7-3-1-4-8-13)18-12-11-16-9-5-2-6-10-16/h1,3-4,7-8H,2,5-6,9-12H2,(H,15,17)
InChIKey
WSYSHLQCHIOWNM-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

248.15248 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 158.1
[M+Na]+ 271.14170 160.6
[M-H]- 247.14520 161.7
[M+NH4]+ 266.18630 172.7
[M+K]+ 287.11564 158.1
[M+H-H2O]+ 231.14974 149.1
[M+HCOO]- 293.15068 177.5
[M+CH3COO]- 307.16633 193.3
[M+Na-2H]- 269.12715 162.4
[M]+ 248.15193 153.9
[M]- 248.15303 153.9
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