CID 62234072

1-methoxypent-4-yn-2-amine

Structural Information

Molecular Formula
C6H11NO
SMILES
COCC(CC#C)N
InChI
InChI=1S/C6H11NO/c1-3-4-6(7)5-8-2/h1,6H,4-5,7H2,2H3
InChIKey
OTXCLTFNOJGVBN-UHFFFAOYSA-N
Compound name
1-methoxypent-4-yn-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

113.08406 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 123.5
[M+Na]+ 136.07328 132.0
[M-H]- 112.07678 122.8
[M+NH4]+ 131.11788 143.3
[M+K]+ 152.04722 131.2
[M+H-H2O]+ 96.081320 112.9
[M+HCOO]- 158.08226 141.4
[M+CH3COO]- 172.09791 181.5
[M+Na-2H]- 134.05873 127.9
[M]+ 113.08351 117.9
[M]- 113.08461 117.9
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.