CID 10034574

But-3-yn-1-amine

Structural Information

Molecular Formula
C4H7N
SMILES
C#CCCN
InChI
InChI=1S/C4H7N/c1-2-3-4-5/h1H,3-5H2
InChIKey
XSBPYGDBXQXSCU-UHFFFAOYSA-N
Compound name
but-3-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1592
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 111.7
[M+Na]+ 92.047064 121.3
[M-H]- 68.050570 111.4
[M+NH4]+ 87.091669 133.3
[M+K]+ 108.02100 120.2
[M+H-H2O]+ 52.055106 101.8
[M+HCOO]- 114.05605 130.9
[M+CH3COO]- 128.07170 173.5
[M+Na-2H]- 90.032512 118.5
[M]+ 69.057297 104.9
[M]- 69.058395 104.9
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