CID 643448

(s)-(-)-n-boc-prolinol

Structural Information

Molecular Formula
C10H19NO3
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1CO
InChI
InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h8,12H,4-7H2,1-3H3/t8-/m0/s1
InChIKey
BFFLLBPMZCIGRM-QMMMGPOBSA-N
Compound name
tert-butyl (2S)-2-(hydroxymethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

3989
Patents

201.13649 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.143766 148.0
[M+Na]+ 224.125708 153.9
[M-H]- 200.129214 148.5
[M+NH4]+ 219.170313 167.2
[M+K]+ 240.099648 153.3
[M+H-H2O]+ 184.133750 142.6
[M+HCOO]- 246.134691 165.5
[M+CH3COO]- 260.150341 180.6
[M+Na-2H]- 222.111156 149.9
[M]+ 201.13594142 147.4
[M]- 201.13703858 147.4
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