CID 64086138

N-(but-3-yn-1-yl)oxetan-3-amine

Structural Information

Molecular Formula
C7H11NO
SMILES
C#CCCNC1COC1
InChI
InChI=1S/C7H11NO/c1-2-3-4-8-7-5-9-6-7/h1,7-8H,3-6H2
InChIKey
NOOGOFXIJNDWRH-UHFFFAOYSA-N
Compound name
N-but-3-ynyloxetan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

125.08406 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.091336 116.6
[M+Na]+ 148.073278 123.3
[M-H]- 124.076784 119.2
[M+NH4]+ 143.117883 129.2
[M+K]+ 164.047218 126.8
[M+H-H2O]+ 108.081320 101.1
[M+HCOO]- 170.082261 133.5
[M+CH3COO]- 184.097911 185.3
[M+Na-2H]- 146.058726 124.1
[M]+ 125.08351142 118.8
[M]- 125.08460858 118.8
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.