CID 117272745

2031260-91-8

Structural Information

Molecular Formula
C11H13N
SMILES
C1C2CC1(NC2)C3=CC=CC=C3
InChI
InChI=1S/C11H13N/c1-2-4-10(5-3-1)11-6-9(7-11)8-12-11/h1-5,9,12H,6-8H2
InChIKey
XGNBBZIYJQLHAP-UHFFFAOYSA-N
Compound name
1-phenyl-2-azabicyclo[2.1.1]hexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.1048 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.112076 136.7
[M+Na]+ 182.094018 143.3
[M-H]- 158.097524 138.8
[M+NH4]+ 177.138623 158.2
[M+K]+ 198.067958 142.2
[M+H-H2O]+ 142.102060 128.2
[M+HCOO]- 204.103001 153.8
[M+CH3COO]- 218.118651 149.2
[M+Na-2H]- 180.079466 144.9
[M]+ 159.10425142 146.2
[M]- 159.10534858 146.2
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.