CID 5314177

Z-d-prolinol

Structural Information

Molecular Formula
C13H17NO3
SMILES
C1C[C@@H](N(C1)C(=O)OCC2=CC=CC=C2)CO
InChI
InChI=1S/C13H17NO3/c15-9-12-7-4-8-14(12)13(16)17-10-11-5-2-1-3-6-11/h1-3,5-6,12,15H,4,7-10H2/t12-/m1/s1
InChIKey
BJTNHGVCFWDNDP-GFCCVEGCSA-N
Compound name
benzyl (2R)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

235.12085 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 154.0
[M+Na]+ 258.11007 159.3
[M-H]- 234.11357 157.5
[M+NH4]+ 253.15467 171.2
[M+K]+ 274.08401 156.8
[M+H-H2O]+ 218.11811 146.5
[M+HCOO]- 280.11905 173.7
[M+CH3COO]- 294.13470 185.6
[M+Na-2H]- 256.09552 155.7
[M]+ 235.12030 152.4
[M]- 235.12140 152.4
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