CID 13631121

1-azabicyclo[2.2.1]heptane

Structural Information

Molecular Formula
C6H11N
SMILES
C1CN2CCC1C2
InChI
InChI=1S/C6H11N/c1-3-7-4-2-6(1)5-7/h6H,1-5H2
InChIKey
JVCBVWTTXCNJBJ-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.1]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3754
Patents

97.08915 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.096426 119.2
[M+Na]+ 120.07837 128.6
[M+NH4]+ 115.12297 129.6
[M+K]+ 136.05231 125.9
[M-H]- 96.081874 119.7
[M+Na-2H]- 118.06382 122.1
[M]+ 97.088601 120.4
[M]- 97.089699 120.4
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