CID 165604971

2731010-10-7

Structural Information

Molecular Formula
C9H13N
SMILES
C#CC1CC2CCC1NC2
InChI
InChI=1S/C9H13N/c1-2-8-5-7-3-4-9(8)10-6-7/h1,7-10H,3-6H2
InChIKey
DHNBVTCTKUXYOA-UHFFFAOYSA-N
Compound name
6-ethynyl-2-azabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

135.1048 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 136.112076 131.0
[M+Na]+ 158.094018 139.2
[M-H]- 134.097524 125.4
[M+NH4]+ 153.138623 153.0
[M+K]+ 174.067958 130.8
[M+H-H2O]+ 118.102060 121.5
[M+HCOO]- 180.103001 136.7
[M+CH3COO]- 194.118651 140.3
[M+Na-2H]- 156.079466 140.6
[M]+ 135.10425142 123.7
[M]- 135.10534858 123.7
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.