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 133.9
[M+Na]+ 176.10459 140.4
[M-H]- 152.10809 135.3
[M+NH4]+ 171.14919 150.7
[M+K]+ 192.07853 138.4
[M+H-H2O]+ 136.11263 122.1
[M+HCOO]- 198.11357 147.7
[M+CH3COO]- 212.12922 186.2
[M+Na-2H]- 174.09004 137.6
[M]+ 153.11482 123.8
[M]- 153.11592 123.8
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.