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]+ 126.091336 124.1
[M+Na]+ 148.073278 132.5
[M-H]- 124.076784 126.2
[M+NH4]+ 143.117883 142.3
[M+K]+ 164.047218 130.7
[M+H-H2O]+ 108.081320 113.0
[M+HCOO]- 170.082261 139.5
[M+CH3COO]- 184.097911 181.0
[M+Na-2H]- 146.058726 129.5
[M]+ 125.08351142 114.4
[M]- 125.08460858 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