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]+ 154.122646 133.9
[M+Na]+ 176.104588 140.4
[M-H]- 152.108094 135.3
[M+NH4]+ 171.149193 150.7
[M+K]+ 192.078528 138.4
[M+H-H2O]+ 136.112630 122.1
[M+HCOO]- 198.113571 147.7
[M+CH3COO]- 212.129221 186.2
[M+Na-2H]- 174.090036 137.6
[M]+ 153.11482142 123.8
[M]- 153.11591858 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.