CID 83816486

2137654-93-2

Structural Information

Molecular Formula
C12H15N
SMILES
CC1=CC=CC=C1C2C3C2CNC3
InChI
InChI=1S/C12H15N/c1-8-4-2-3-5-9(8)12-10-6-13-7-11(10)12/h2-5,10-13H,6-7H2,1H3
InChIKey
LXUUNHSVDPTANI-UHFFFAOYSA-N
Compound name
6-(2-methylphenyl)-3-azabicyclo[3.1.0]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.12045 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.127726 137.9
[M+Na]+ 196.109668 147.9
[M-H]- 172.113174 143.6
[M+NH4]+ 191.154273 154.4
[M+K]+ 212.083608 142.7
[M+H-H2O]+ 156.117710 131.4
[M+HCOO]- 218.118651 158.3
[M+CH3COO]- 232.134301 150.8
[M+Na-2H]- 194.095116 142.6
[M]+ 173.11990142 137.5
[M]- 173.12099858 137.5
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.