CID 2753029

Bicyclo[4.2.0]octa-1,3,5-trien-7-amine hydrochloride

Structural Information

Molecular Formula
C8H9N
SMILES
C1C(C2=CC=CC=C21)N
InChI
InChI=1S/C8H9N/c9-8-5-6-3-1-2-4-7(6)8/h1-4,8H,5,9H2
InChIKey
OVLLQUKHPTXIBH-UHFFFAOYSA-N
Compound name
bicyclo[4.2.0]octa-1,3,5-trien-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

119.0735 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 120.08078 119.3
[M+Na]+ 142.06272 126.9
[M-H]- 118.06622 123.8
[M+NH4]+ 137.10732 136.2
[M+K]+ 158.03666 127.7
[M+H-H2O]+ 102.07076 109.2
[M+HCOO]- 164.07170 142.7
[M+CH3COO]- 178.08735 176.8
[M+Na-2H]- 140.04817 128.1
[M]+ 119.07295 126.1
[M]- 119.07405 126.1
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