CID 3057781

74195-87-2

Structural Information

Molecular Formula
C16H23NO3
SMILES
CCC(=O)OC1(CCN(C1C)CCO)C2=CC=CC=C2
InChI
InChI=1S/C16H23NO3/c1-3-15(19)20-16(14-7-5-4-6-8-14)9-10-17(11-12-18)13(16)2/h4-8,13,18H,3,9-12H2,1-2H3
InChIKey
ZHEPTIYRBLAGNT-UHFFFAOYSA-N
Compound name
[1-(2-hydroxyethyl)-2-methyl-3-phenylpyrrolidin-3-yl] propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1678 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 166.2
[M+Na]+ 300.15702 172.1
[M-H]- 276.16052 169.9
[M+NH4]+ 295.20162 184.0
[M+K]+ 316.13096 169.1
[M+H-H2O]+ 260.16506 159.3
[M+HCOO]- 322.16600 184.9
[M+CH3COO]- 336.18165 195.9
[M+Na-2H]- 298.14247 167.0
[M]+ 277.16725 166.6
[M]- 277.16835 166.6
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.