CID 10290734

But-3-yn-2-amine

Structural Information

Molecular Formula
C4H7N
SMILES
CC(C#C)N
InChI
InChI=1S/C4H7N/c1-3-4(2)5/h1,4H,5H2,2H3
InChIKey
ZZRMYOZQUCUWFT-UHFFFAOYSA-N
Compound name
but-3-yn-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1388
Patents

69.057846 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 70.065122 113.2
[M+Na]+ 92.047064 122.5
[M-H]- 68.050570 112.9
[M+NH4]+ 87.091669 134.7
[M+K]+ 108.02100 121.8
[M+H-H2O]+ 52.055106 103.2
[M+HCOO]- 114.05605 131.5
[M+CH3COO]- 128.07170 174.3
[M+Na-2H]- 90.032512 118.7
[M]+ 69.057297 105.7
[M]- 69.058395 105.7
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