CID 89306669

2-ethynyloxan-4-amine hydrochloride

Structural Information

Molecular Formula
C7H11NO
SMILES
C#CC1CC(CCO1)N
InChI
InChI=1S/C7H11NO/c1-2-7-5-6(8)3-4-9-7/h1,6-7H,3-5,8H2
InChIKey
NZYFHLWOCDTTSL-UHFFFAOYSA-N
Compound name
2-ethynyloxan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

125.08406 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.09134 124.1
[M+Na]+ 148.07328 132.5
[M-H]- 124.07678 126.2
[M+NH4]+ 143.11788 142.3
[M+K]+ 164.04722 130.7
[M+H-H2O]+ 108.08132 113.0
[M+HCOO]- 170.08226 139.5
[M+CH3COO]- 184.09791 181.0
[M+Na-2H]- 146.05873 129.5
[M]+ 125.08351 114.4
[M]- 125.08461 114.4
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

patents stripe