CID 49714

67239-19-4

Structural Information

Molecular Formula
C17H23NO3
SMILES
C1CC1(C2=CC=CC=C2)C(=O)OCCCN3CCOCC3
InChI
InChI=1S/C17H23NO3/c19-16(17(7-8-17)15-5-2-1-3-6-15)21-12-4-9-18-10-13-20-14-11-18/h1-3,5-6H,4,7-14H2
InChIKey
MNLHJQCSYBKDEG-UHFFFAOYSA-N
Compound name
3-morpholin-4-ylpropyl 1-phenylcyclopropane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1678 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.175076 170.9
[M+Na]+ 312.157018 176.0
[M-H]- 288.160524 179.1
[M+NH4]+ 307.201623 180.2
[M+K]+ 328.130958 175.1
[M+H-H2O]+ 272.165060 162.1
[M+HCOO]- 334.166001 187.9
[M+CH3COO]- 348.181651 200.8
[M+Na-2H]- 310.142466 175.2
[M]+ 289.16725142 172.2
[M]- 289.16834858 172.2
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.