CID 239041

Propargylamine

Structural Information

Molecular Formula
C3H5N
SMILES
C#CCN
InChI
InChI=1S/C3H5N/c1-2-3-4/h1H,3-4H2
InChIKey
JKANAVGODYYCQF-UHFFFAOYSA-N
Compound name
prop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

317
References

22059
Patents

55.0422 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 56.049476 107.8
[M+Na]+ 78.031418 117.7
[M-H]- 54.034924 107.6
[M+NH4]+ 73.076023 129.8
[M+K]+ 94.005358 116.8
[M+H-H2O]+ 38.039460 98.0
[M+HCOO]- 100.04040 127.2
[M+CH3COO]- 114.05605 170.8
[M+Na-2H]- 76.016866 115.0
[M]+ 55.041651 100.6
[M]- 55.042749 100.6
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