CID 55285524

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

Structural Information

Molecular Formula
C9H11N
SMILES
CC1(CC2=CC=CC=C21)N
InChI
InChI=1S/C9H11N/c1-9(10)6-7-4-2-3-5-8(7)9/h2-5H,6,10H2,1H3
InChIKey
PGQILBLSHQORKS-UHFFFAOYSA-N
Compound name
7-methylbicyclo[4.2.0]octa-1,3,5-trien-7-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

133.08914 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.09642 124.7
[M+Na]+ 156.07836 133.2
[M+NH4]+ 151.12296 132.5
[M+K]+ 172.05230 126.5
[M-H]- 132.08186 125.6
[M+Na-2H]- 154.06381 130.9
[M]+ 133.08859 125.2
[M]- 133.08969 125.2
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

patents stripe