CID 17140

Propynylamine

Structural Information

Molecular Formula
C3H5N
SMILES
CC#CN
InChI
InChI=1S/C3H5N/c1-2-3-4/h4H2,1H3
InChIKey
RTWCHRMHGXBETA-UHFFFAOYSA-N
Compound name
prop-1-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

213
References

636
Patents

55.0422 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 56.049476 108.9
[M+Na]+ 78.031418 119.5
[M+NH4]+ 73.076023 114.3
[M+K]+ 94.005358 111.3
[M-H]- 54.034924 101.8
[M+Na-2H]- 76.016866 111.5
[M]+ 55.041651 107.4
[M]- 55.042749 107.4
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