CID 41587

(3-ethoxyphenyl)carbamic acid 2-(1-piperidinyl)ethyl ester hydrochloride

Structural Information

Molecular Formula
C16H24N2O3
SMILES
CCOC1=CC=CC(=C1)NC(=O)OCCN2CCCCC2
InChI
InChI=1S/C16H24N2O3/c1-2-20-15-8-6-7-14(13-15)17-16(19)21-12-11-18-9-4-3-5-10-18/h6-8,13H,2-5,9-12H2,1H3,(H,17,19)
InChIKey
BHNUTFJPRUPWIM-UHFFFAOYSA-N
Compound name
2-piperidin-1-ylethyl N-(3-ethoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

292.17868 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.18596 169.9
[M+Na]+ 315.16790 172.4
[M-H]- 291.17140 173.6
[M+NH4]+ 310.21250 183.0
[M+K]+ 331.14184 170.1
[M+H-H2O]+ 275.17594 160.5
[M+HCOO]- 337.17688 188.8
[M+CH3COO]- 351.19253 202.6
[M+Na-2H]- 313.15335 172.5
[M]+ 292.17813 168.3
[M]- 292.17923 168.3
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

No patent data available for this compound.