CID 167741583

En300-45139495

Structural Information

Molecular Formula
C12H24N2O2
SMILES
CC(C)(C)OC(=O)N(C)C[C@@H]1CCC[C@@H]1N
InChI
InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14(4)8-9-6-5-7-10(9)13/h9-10H,5-8,13H2,1-4H3/t9-,10-/m0/s1
InChIKey
BQEVPAZADVOPBB-UWVGGRQHSA-N
Compound name
tert-butyl N-[[(1S,2S)-2-aminocyclopentyl]methyl]-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.18378 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.19106 156.8
[M+Na]+ 251.17300 160.6
[M-H]- 227.17650 160.6
[M+NH4]+ 246.21760 176.6
[M+K]+ 267.14694 161.0
[M+H-H2O]+ 211.18104 150.9
[M+HCOO]- 273.18198 178.1
[M+CH3COO]- 287.19763 197.3
[M+Na-2H]- 249.15845 157.1
[M]+ 228.18323 155.4
[M]- 228.18433 155.4
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.