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

9
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]+ 118.06272 122.7
[M-H]- 94.066224 117.1
[M+NH4]+ 113.10732 129.6
[M+K]+ 134.03666 124.7
[M+H-H2O]+ 78.070760 100.0
[M+HCOO]- 140.07170 131.9
[M+CH3COO]- 154.08735 181.4
[M+Na-2H]- 116.04817 119.9
[M]+ 95.072951 114.3
[M]- 95.074049 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