CID 217688

1-aza-1-methyl-1,2,3,7,8,8a-hexahydroacenaphthylene hydrochloride

Structural Information

Molecular Formula
C12H15N
SMILES
CN1CCC2=CC=CC3=C2C1CC3
InChI
InChI=1S/C12H15N/c1-13-8-7-10-4-2-3-9-5-6-11(13)12(9)10/h2-4,11H,5-8H2,1H3
InChIKey
CQEFJCPSOYTPOE-UHFFFAOYSA-N
Compound name
5-methyl-5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

173.12045 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.127726 137.7
[M+Na]+ 196.109668 145.4
[M-H]- 172.113174 140.7
[M+NH4]+ 191.154273 161.1
[M+K]+ 212.083608 141.8
[M+H-H2O]+ 156.117710 131.4
[M+HCOO]- 218.118651 156.3
[M+CH3COO]- 232.134301 150.7
[M+Na-2H]- 194.095116 143.7
[M]+ 173.11990142 135.7
[M]- 173.12099858 135.7
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