CID 78963

2-azabicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C6H11N
SMILES
C1CC2CC1CN2
InChI
InChI=1S/C6H11N/c1-2-6-3-5(1)4-7-6/h5-7H,1-4H2
InChIKey
GYLMCBOAXJVARF-UHFFFAOYSA-N
Compound name
2-azabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7370
Patents

97.08915 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.096426 120.7
[M+Na]+ 120.07837 127.5
[M-H]- 96.081874 120.6
[M+NH4]+ 115.12297 146.9
[M+K]+ 136.05231 125.9
[M+H-H2O]+ 80.086410 115.8
[M+HCOO]- 142.08735 140.2
[M+CH3COO]- 156.10300 134.2
[M+Na-2H]- 118.06382 125.8
[M]+ 97.088601 116.0
[M]- 97.089699 116.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe