CID 22101702

2-azabicyclo[2.1.1]hexane hydrochloride

Structural Information

Molecular Formula
C5H9N
SMILES
C1C2CC1NC2
InChI
InChI=1S/C5H9N/c1-4-2-5(1)6-3-4/h4-6H,1-3H2
InChIKey
HAHYXYKFMHJMIE-UHFFFAOYSA-N
Compound name
2-azabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

1297
Patents

83.0735 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 84.080776 117.7
[M+Na]+ 106.06272 124.1
[M-H]- 82.066224 116.6
[M+NH4]+ 101.10732 140.4
[M+K]+ 122.03666 125.7
[M+H-H2O]+ 66.070760 110.5
[M+HCOO]- 128.07170 135.1
[M+CH3COO]- 142.08735 131.1
[M+Na-2H]- 104.04817 126.2
[M]+ 83.072951 127.1
[M]- 83.074049 127.1
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