CID 20521861

1414958-74-9

Structural Information

Molecular Formula
C6H11N
SMILES
C1CNCC2C1C2
InChI
InChI=1S/C6H11N/c1-2-7-4-6-3-5(1)6/h5-7H,1-4H2
InChIKey
MZFQJBMXUXJUHF-UHFFFAOYSA-N
Compound name
3-azabicyclo[4.1.0]heptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3384
Patents

97.08915 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 98.096426 119.8
[M+Na]+ 120.07837 132.4
[M+NH4]+ 115.12297 130.2
[M+K]+ 136.05231 127.5
[M-H]- 96.081874 128.3
[M+Na-2H]- 118.06382 127.6
[M]+ 97.088601 125.0
[M]- 97.089699 125.0
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