CID 119030894

1803598-10-8

Structural Information

Molecular Formula
C12H24N2O3
SMILES
CC(C)(C)OC(=O)N1CCCC1(CN)COC
InChI
InChI=1S/C12H24N2O3/c1-11(2,3)17-10(15)14-7-5-6-12(14,8-13)9-16-4/h5-9,13H2,1-4H3
InChIKey
IRXUXKIPLKNYOK-UHFFFAOYSA-N
Compound name
tert-butyl 2-(aminomethyl)-2-(methoxymethyl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.1787 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.18598 158.6
[M+Na]+ 267.16792 164.0
[M-H]- 243.17142 159.9
[M+NH4]+ 262.21252 178.2
[M+K]+ 283.14186 163.8
[M+H-H2O]+ 227.17596 153.4
[M+HCOO]- 289.17690 177.5
[M+CH3COO]- 303.19255 193.1
[M+Na-2H]- 265.15337 160.9
[M]+ 244.17815 159.2
[M]- 244.17925 159.2
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.