CID 65576188

1-methoxybut-3-yn-2-amine

Structural Information

Molecular Formula
C5H9NO
SMILES
COCC(C#C)N
InChI
InChI=1S/C5H9NO/c1-3-5(6)4-7-2/h1,5H,4,6H2,2H3
InChIKey
SFCJZXPSCKHLPU-UHFFFAOYSA-N
Compound name
1-methoxybut-3-yn-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

99.06841 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 100.07569 119.5
[M+Na]+ 122.05763 128.4
[M-H]- 98.061134 119.0
[M+NH4]+ 117.10223 139.8
[M+K]+ 138.03157 127.9
[M+H-H2O]+ 82.065670 109.1
[M+HCOO]- 144.06661 137.7
[M+CH3COO]- 158.08226 178.8
[M+Na-2H]- 120.04308 124.4
[M]+ 99.067861 113.6
[M]- 99.068959 113.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.