CID 17859451

Tert-butyl 2-(hydroxymethyl)-2-(methoxymethyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C12H23NO4
SMILES
CC(C)(C)OC(=O)N1CCCC1(CO)COC
InChI
InChI=1S/C12H23NO4/c1-11(2,3)17-10(15)13-7-5-6-12(13,8-14)9-16-4/h14H,5-9H2,1-4H3
InChIKey
JSGJVHKHDQXJON-UHFFFAOYSA-N
Compound name
tert-butyl 2-(hydroxymethyl)-2-(methoxymethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.1627 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.16998 158.1
[M+Na]+ 268.15192 163.9
[M-H]- 244.15542 158.5
[M+NH4]+ 263.19652 177.5
[M+K]+ 284.12586 163.6
[M+H-H2O]+ 228.15996 153.4
[M+HCOO]- 290.16090 175.2
[M+CH3COO]- 304.17655 188.3
[M+Na-2H]- 266.13737 160.7
[M]+ 245.16215 160.0
[M]- 245.16325 160.0
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.