CID 12599998

But-2-yn-1-amine hydrochloride

Structural Information

Molecular Formula
C4H7N
SMILES
CC#CCN
InChI
InChI=1S/C4H7N/c1-2-3-4-5/h4-5H2,1H3
InChIKey
YLBIBZCIFHPPKA-UHFFFAOYSA-N
Compound name
but-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

673
Patents

69.057846 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 70.065122 112.1
[M+Na]+ 92.047064 121.7
[M-H]- 68.050570 111.8
[M+NH4]+ 87.091669 133.7
[M+K]+ 108.02100 120.6
[M+H-H2O]+ 52.055106 102.1
[M+HCOO]- 114.05605 131.3
[M+CH3COO]- 128.07170 172.9
[M+Na-2H]- 90.032512 118.8
[M]+ 69.057297 105.1
[M]- 69.058395 105.1
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