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 (1R,5S)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

208.12119 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.128466 148.9
[M+Na]+ 231.110408 164.4
[M-H]- 207.113914 154.3
[M+NH4]+ 226.155013 165.1
[M+K]+ 247.084348 157.7
[M+H-H2O]+ 191.118450 139.7
[M+HCOO]- 253.119391 165.8
[M+CH3COO]- 267.135041 200.8
[M+Na-2H]- 229.095856 153.4
[M]+ 208.12064142 149.6
[M]- 208.12173858 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