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
cis-(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]+ 125.070936 123.3
[M+Na]+ 147.052878 130.1
[M-H]- 123.056384 126.4
[M+NH4]+ 142.097483 136.8
[M+K]+ 163.026818 133.6
[M+H-H2O]+ 107.060920 107.1
[M+HCOO]- 169.061861 141.7
[M+CH3COO]- 183.077511 189.6
[M+Na-2H]- 145.038326 127.2
[M]+ 124.06311142 123.5
[M]- 124.06420858 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