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

50
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]+ 118.062718 130.1
[M-H]- 94.066224 120.2
[M+NH4]+ 113.107323 133.2
[M+K]+ 134.036658 124.6
[M+H-H2O]+ 78.070760 106.7
[M+HCOO]- 140.071701 136.1
[M+CH3COO]- 154.087351 179.8
[M+Na-2H]- 116.048166 123.4
[M]+ 95.07295142 112.0
[M]- 95.07404858 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