CID 82662964

Tert-butyl 3-(aminomethyl)-3-(hydroxymethyl)pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C11H22N2O3
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(CN)CO
InChI
InChI=1S/C11H22N2O3/c1-10(2,3)16-9(15)13-5-4-11(6-12,7-13)8-14/h14H,4-8,12H2,1-3H3
InChIKey
ZIMZBHFBILQMNT-UHFFFAOYSA-N
Compound name
tert-butyl 3-(aminomethyl)-3-(hydroxymethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.16304 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.17032 154.9
[M+Na]+ 253.15226 160.3
[M-H]- 229.15576 155.0
[M+NH4]+ 248.19686 174.4
[M+K]+ 269.12620 159.4
[M+H-H2O]+ 213.16030 150.1
[M+HCOO]- 275.16124 172.5
[M+CH3COO]- 289.17689 187.6
[M+Na-2H]- 251.13771 157.2
[M]+ 230.16249 153.2
[M]- 230.16359 153.2
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.