CID 27748

Nsc 527263

Structural Information

Molecular Formula
C6H8N2O
SMILES
C1C[C@H]([C@@H]1C#N)C(=O)N
InChI
InChI=1S/C6H8N2O/c7-3-4-1-2-5(4)6(8)9/h4-5H,1-2H2,(H2,8,9)/t4-,5+/m0/s1
InChIKey
BQALVXXDDBQMEL-CRCLSJGQSA-N
Compound name
(1R,2R)-2-cyanocyclobutane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

124.06366 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 123.3
[M+Na]+ 147.05288 130.1
[M-H]- 123.05638 126.4
[M+NH4]+ 142.09748 136.8
[M+K]+ 163.02682 133.6
[M+H-H2O]+ 107.06092 107.1
[M+HCOO]- 169.06186 141.7
[M+CH3COO]- 183.07751 189.6
[M+Na-2H]- 145.03833 127.2
[M]+ 124.06311 123.5
[M]- 124.06421 123.5
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