CID 146510523

2171136-82-4

Structural Information

Molecular Formula
C12H23NO4
SMILES
CC(C)(C)OC(=O)N1C[C@H](C[C@H]1CO)COC
InChI
InChI=1S/C12H23NO4/c1-12(2,3)17-11(15)13-6-9(8-16-4)5-10(13)7-14/h9-10,14H,5-8H2,1-4H3/t9-,10-/m0/s1
InChIKey
HBYPBLSGCSSQRO-UWVGGRQHSA-N
Compound name
tert-butyl (2S,4S)-2-(hydroxymethyl)-4-(methoxymethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

245.1627 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.169976 158.9
[M+Na]+ 268.151918 164.8
[M-H]- 244.155424 159.5
[M+NH4]+ 263.196523 176.6
[M+K]+ 284.125858 164.3
[M+H-H2O]+ 228.159960 153.5
[M+HCOO]- 290.160901 176.0
[M+CH3COO]- 304.176551 190.0
[M+Na-2H]- 266.137366 159.4
[M]+ 245.16215142 160.9
[M]- 245.16324858 160.9
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

patents stripe