CID 49714

1-phenylcyclopropanecarboxylic acid (3-morpholinopropyl) ester hydrochloride

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]+ 290.17508 170.9
[M+Na]+ 312.15702 176.0
[M-H]- 288.16052 179.1
[M+NH4]+ 307.20162 180.2
[M+K]+ 328.13096 175.1
[M+H-H2O]+ 272.16506 162.1
[M+HCOO]- 334.16600 187.9
[M+CH3COO]- 348.18165 200.8
[M+Na-2H]- 310.14247 175.2
[M]+ 289.16725 172.2
[M]- 289.16835 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.