CID 22136558

3-cyclopropylprop-2-yn-1-amine hydrochloride

Structural Information

Molecular Formula
C6H9N
SMILES
C1CC1C#CCN
InChI
InChI=1S/C6H9N/c7-5-1-2-6-3-4-6/h6H,3-5,7H2
InChIKey
BSIJLGIHXMPQSU-UHFFFAOYSA-N
Compound name
3-cyclopropylprop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

95.0735 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.080776 115.2
[M+Na]+ 118.06272 130.1
[M-H]- 94.066224 120.2
[M+NH4]+ 113.10732 133.2
[M+K]+ 134.03666 124.6
[M+H-H2O]+ 78.070760 106.7
[M+HCOO]- 140.07170 136.1
[M+CH3COO]- 154.08735 179.8
[M+Na-2H]- 116.04817 123.4
[M]+ 95.072951 112.0
[M]- 95.074049 112.0
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