CID 104995809

1-(oxan-2-yl)prop-2-yn-1-amine hydrochloride

Structural Information

Molecular Formula
C8H13NO
SMILES
C#CC(C1CCCCO1)N
InChI
InChI=1S/C8H13NO/c1-2-7(9)8-5-3-4-6-10-8/h1,7-8H,3-6,9H2
InChIKey
JCBSSBZAQMJQCB-UHFFFAOYSA-N
Compound name
1-(oxan-2-yl)prop-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.09972 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.10700 134.4
[M+Na]+ 162.08894 143.9
[M+NH4]+ 157.13354 139.3
[M+K]+ 178.06288 135.8
[M-H]- 138.09244 129.5
[M+Na-2H]- 160.07439 135.6
[M]+ 139.09917 133.3
[M]- 139.10027 133.3
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.