CID 11579366

871239-62-2

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2[C@H](C1)C2C#N
InChI
InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13-5-8-7(4-12)9(8)6-13/h7-9H,5-6H2,1-3H3/t7?,8-,9+
InChIKey
NQLPDUDIPJLXMZ-CBLAIPOGSA-N
Compound name
tert-butyl (1S,5R)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

208.12119 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 148.9
[M+Na]+ 231.11041 164.4
[M-H]- 207.11391 154.3
[M+NH4]+ 226.15501 165.1
[M+K]+ 247.08435 157.7
[M+H-H2O]+ 191.11845 139.7
[M+HCOO]- 253.11939 165.8
[M+CH3COO]- 267.13504 200.8
[M+Na-2H]- 229.09586 153.4
[M]+ 208.12064 149.6
[M]- 208.12174 149.6
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

patents stripe