CID 105533146

Rel-tert-butyl ((1r,2s)-2-cyanocyclopropyl)carbamate

Structural Information

Molecular Formula
C9H14N2O2
SMILES
CC(C)(C)OC(=O)N[C@@H]1C[C@@H]1C#N
InChI
InChI=1S/C9H14N2O2/c1-9(2,3)13-8(12)11-7-4-6(7)5-10/h6-7H,4H2,1-3H3,(H,11,12)/t6-,7-/m1/s1
InChIKey
QFUOUEURKHWBNS-RNFRBKRXSA-N
Compound name
tert-butyl N-[(1R,2S)-2-cyanocyclopropyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.10553 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.11281 141.8
[M+Na]+ 205.09475 151.3
[M+NH4]+ 200.13935 145.9
[M+K]+ 221.06869 146.0
[M-H]- 181.09825 141.1
[M+Na-2H]- 203.08020 145.3
[M]+ 182.10498 142.9
[M]- 182.10608 142.9
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.