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]+ 174.12773 137.7
[M+Na]+ 196.10967 145.4
[M-H]- 172.11317 140.7
[M+NH4]+ 191.15427 161.1
[M+K]+ 212.08361 141.8
[M+H-H2O]+ 156.11771 131.4
[M+HCOO]- 218.11865 156.3
[M+CH3COO]- 232.13430 150.7
[M+Na-2H]- 194.09512 143.7
[M]+ 173.11990 135.7
[M]- 173.12100 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