CID 138040620

2247103-24-6

Structural Information

Molecular Formula
C9H15NO
SMILES
C#CC(CC1CCOCC1)N
InChI
InChI=1S/C9H15NO/c1-2-9(10)7-8-3-5-11-6-4-8/h1,8-9H,3-7,10H2
InChIKey
AWDVSTRMTZPDQN-UHFFFAOYSA-N
Compound name
1-(oxan-4-yl)but-3-yn-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.11537 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.12265 138.4
[M+Na]+ 176.10459 147.7
[M+NH4]+ 171.14919 143.2
[M+K]+ 192.07853 139.5
[M-H]- 152.10809 133.5
[M+Na-2H]- 174.09004 139.4
[M]+ 153.11482 137.3
[M]- 153.11592 137.3
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.