CID 139389093

2374129-02-7

Structural Information

Molecular Formula
C13H25NO3
SMILES
CC1(CC(CN1C(=O)OC(C)(C)C)CCO)C
InChI
InChI=1S/C13H25NO3/c1-12(2,3)17-11(16)14-9-10(6-7-15)8-13(14,4)5/h10,15H,6-9H2,1-5H3
InChIKey
HLSJFBQWCBNSQQ-UHFFFAOYSA-N
Compound name
tert-butyl 4-(2-hydroxyethyl)-2,2-dimethylpyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

243.18344 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.190716 158.6
[M+Na]+ 266.172658 165.1
[M-H]- 242.176164 159.3
[M+NH4]+ 261.217263 178.5
[M+K]+ 282.146598 164.0
[M+H-H2O]+ 226.180700 154.4
[M+HCOO]- 288.181641 175.2
[M+CH3COO]- 302.197291 190.5
[M+Na-2H]- 264.158106 160.0
[M]+ 243.18289142 159.9
[M]- 243.18398858 159.9
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