CID 136576216

2219379-71-0

Structural Information

Molecular Formula
C6H9N
SMILES
C#CC1CC(C1)N
InChI
InChI=1S/C6H9N/c1-2-5-3-6(7)4-5/h1,5-6H,3-4,7H2
InChIKey
GLUARTMYGSYNED-UHFFFAOYSA-N
Compound name
3-ethynylcyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

95.0735 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.080776 114.7
[M+Na]+ 118.062718 122.7
[M-H]- 94.066224 117.1
[M+NH4]+ 113.107323 129.6
[M+K]+ 134.036658 124.7
[M+H-H2O]+ 78.070760 100.0
[M+HCOO]- 140.071701 131.9
[M+CH3COO]- 154.087351 181.4
[M+Na-2H]- 116.048166 119.9
[M]+ 95.07295142 114.3
[M]- 95.07404858 114.3
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