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]+ 126.09134 116.6
[M+Na]+ 148.07328 123.3
[M-H]- 124.07678 119.2
[M+NH4]+ 143.11788 129.2
[M+K]+ 164.04722 126.8
[M+H-H2O]+ 108.08132 101.1
[M+HCOO]- 170.08226 133.5
[M+CH3COO]- 184.09791 185.3
[M+Na-2H]- 146.05873 124.1
[M]+ 125.08351 118.8
[M]- 125.08461 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.