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]+ 136.11208 131.0
[M+Na]+ 158.09402 139.2
[M-H]- 134.09752 125.4
[M+NH4]+ 153.13862 153.0
[M+K]+ 174.06796 130.8
[M+H-H2O]+ 118.10206 121.5
[M+HCOO]- 180.10300 136.7
[M+CH3COO]- 194.11865 140.3
[M+Na-2H]- 156.07947 140.6
[M]+ 135.10425 123.7
[M]- 135.10535 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.