CID 79609958

2377031-32-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

113.08406 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.091336 124.8
[M+Na]+ 136.073278 133.1
[M-H]- 112.076784 124.2
[M+NH4]+ 131.117883 144.6
[M+K]+ 152.047218 132.7
[M+H-H2O]+ 96.081320 114.3
[M+HCOO]- 158.082261 141.8
[M+CH3COO]- 172.097911 182.3
[M+Na-2H]- 134.058726 128.0
[M]+ 113.08351142 118.6
[M]- 113.08460858 118.6
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.