CID 119031608

1807940-54-0

Structural Information

Molecular Formula
C12H24N2O2
SMILES
C[C@@H]1CNC[C@@]1(C)CNC(=O)OC(C)(C)C
InChI
InChI=1S/C12H24N2O2/c1-9-6-13-7-12(9,5)8-14-10(15)16-11(2,3)4/h9,13H,6-8H2,1-5H3,(H,14,15)/t9-,12+/m1/s1
InChIKey
PLLIFPFHFHXRNX-SKDRFNHKSA-N
Compound name
tert-butyl N-[[(3S,4S)-3,4-dimethylpyrrolidin-3-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.18378 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.19106 156.2
[M+Na]+ 251.17300 161.3
[M-H]- 227.17650 156.7
[M+NH4]+ 246.21760 176.1
[M+K]+ 267.14694 160.0
[M+H-H2O]+ 211.18104 151.3
[M+HCOO]- 273.18198 173.9
[M+CH3COO]- 287.19763 189.1
[M+Na-2H]- 249.15845 158.9
[M]+ 228.18323 154.4
[M]- 228.18433 154.4
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.