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

5
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 126.4
[M+Na]+ 156.07836 134.6
[M-H]- 132.08186 131.3
[M+NH4]+ 151.12296 144.8
[M+K]+ 172.05230 135.1
[M+H-H2O]+ 116.08640 117.1
[M+HCOO]- 178.08734 149.5
[M+CH3COO]- 192.10299 179.3
[M+Na-2H]- 154.06381 135.4
[M]+ 133.08859 133.9
[M]- 133.08969 133.9
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