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]+ 138.091336 133.4
[M+Na]+ 160.073278 143.9
[M-H]- 136.076784 134.6
[M+NH4]+ 155.117883 155.4
[M+K]+ 176.047218 140.6
[M+H-H2O]+ 120.081320 122.1
[M+HCOO]- 182.082261 147.1
[M+CH3COO]- 196.097911 145.5
[M+Na-2H]- 158.058726 142.1
[M]+ 137.08351142 139.3
[M]- 137.08460858 139.3
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.