CID 10879038

1-[(2s)-2-(benzyloxy)propanoyl]pyrrolidine

Structural Information

Molecular Formula
C14H19NO2
SMILES
C[C@@H](C(=O)N1CCCC1)OCC2=CC=CC=C2
InChI
InChI=1S/C14H19NO2/c1-12(14(16)15-9-5-6-10-15)17-11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3/t12-/m0/s1
InChIKey
TVZLBOSPKGJOTA-LBPRGKRZSA-N
Compound name
(2S)-2-phenylmethoxy-1-pyrrolidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

233.14159 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 155.8
[M+Na]+ 256.13081 159.9
[M-H]- 232.13431 160.1
[M+NH4]+ 251.17541 173.3
[M+K]+ 272.10475 157.9
[M+H-H2O]+ 216.13885 147.8
[M+HCOO]- 278.13979 175.3
[M+CH3COO]- 292.15544 189.5
[M+Na-2H]- 254.11626 156.8
[M]+ 233.14104 154.0
[M]- 233.14214 154.0
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