CID 11116040

4-amino-benzocyclobutane hydrochloride

Structural Information

Molecular Formula
C8H9N
SMILES
C1CC2=C1C=CC(=C2)N
InChI
InChI=1S/C8H9N/c9-8-4-3-6-1-2-7(6)5-8/h3-5H,1-2,9H2
InChIKey
JTXHBTQCQCFUQW-UHFFFAOYSA-N
Compound name
bicyclo[4.2.0]octa-1(6),2,4-trien-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

119.0735 Da
Monoisotopic Mass

0.8
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

No literature data available for this compound.

Patent stripe

patents stripe