CID 55285271

1-ethynylcyclobutan-1-amine hydrochloride

Structural Information

Molecular Formula
C6H9N
SMILES
C#CC1(CCC1)N
InChI
InChI=1S/C6H9N/c1-2-6(7)4-3-5-6/h1H,3-5,7H2
InChIKey
KDSZHLCFSYQMCH-UHFFFAOYSA-N
Compound name
1-ethynylcyclobutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

95.0735 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.080776 117.1
[M+Na]+ 118.062718 125.4
[M-H]- 94.066224 119.8
[M+NH4]+ 113.107323 133.6
[M+K]+ 134.036658 126.7
[M+H-H2O]+ 78.070760 103.4
[M+HCOO]- 140.071701 134.4
[M+CH3COO]- 154.087351 180.1
[M+Na-2H]- 116.048166 123.7
[M]+ 95.07295142 116.7
[M]- 95.07404858 116.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe