CID 93492522

2243521-20-0

Structural Information

Molecular Formula
C10H11N
SMILES
C1[C@H]2CN[C@H]2C3=CC=CC=C31
InChI
InChI=1S/C10H11N/c1-2-4-9-7(3-1)5-8-6-11-10(8)9/h1-4,8,10-11H,5-6H2/t8-,10+/m0/s1
InChIKey
SOMFMLLQFUJZLJ-WCBMZHEXSA-N
Compound name
(2aS,7bR)-2,2a,3,7b-tetrahydro-1H-indeno[1,2-b]azete
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.08914 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09642 124.6
[M+Na]+ 168.07836 132.3
[M-H]- 144.08186 127.6
[M+NH4]+ 163.12296 141.8
[M+K]+ 184.05230 131.4
[M+H-H2O]+ 128.08640 114.7
[M+HCOO]- 190.08734 143.7
[M+CH3COO]- 204.10299 137.9
[M+Na-2H]- 166.06381 132.2
[M]+ 145.08859 130.8
[M]- 145.08969 130.8
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

No patent data available for this compound.