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]+ 229.191056 156.8
[M+Na]+ 251.172998 160.6
[M-H]- 227.176504 160.6
[M+NH4]+ 246.217603 176.6
[M+K]+ 267.146938 161.0
[M+H-H2O]+ 211.181040 150.9
[M+HCOO]- 273.181981 178.1
[M+CH3COO]- 287.197631 197.3
[M+Na-2H]- 249.158446 157.1
[M]+ 228.18323142 155.4
[M]- 228.18432858 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.