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]+ 134.096416 126.4
[M+Na]+ 156.078358 134.6
[M-H]- 132.081864 131.3
[M+NH4]+ 151.122963 144.8
[M+K]+ 172.052298 135.1
[M+H-H2O]+ 116.086400 117.1
[M+HCOO]- 178.087341 149.5
[M+CH3COO]- 192.102991 179.3
[M+Na-2H]- 154.063806 135.4
[M]+ 133.08859142 133.9
[M]- 133.08968858 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