CID 165655101

1-{4-ethynyl-2-oxabicyclo[2.1.1]hexan-1-yl}methanamine

Structural Information

Molecular Formula
C8H11NO
SMILES
C#CC12CC(C1)(OC2)CN
InChI
InChI=1S/C8H11NO/c1-2-7-3-8(4-7,5-9)10-6-7/h1H,3-6,9H2
InChIKey
KXGGRPFYBUNIRL-UHFFFAOYSA-N
Compound name
(4-ethynyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.08406 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 128.6
[M+Na]+ 160.07328 132.6
[M+NH4]+ 155.11788 133.8
[M+K]+ 176.04722 126.4
[M-H]- 136.07678 118.5
[M+Na-2H]- 158.05873 125.5
[M]+ 137.08351 124.6
[M]- 137.08461 124.6
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.