CID 155970521

(8ar)-1h,3h,8h,8ah-azirino[1,2-b]isoquinoline

Structural Information

Molecular Formula
C10H11N
SMILES
C1[C@@H]2CN2CC3=CC=CC=C31
InChI
InChI=1S/C10H11N/c1-2-4-9-6-11-7-10(11)5-8(9)3-1/h1-4,10H,5-7H2/t10-,11?/m1/s1
InChIKey
HWXLNBLDZNGYNK-NFJWQWPMSA-N
Compound name
(8aR)-1,3,8,8a-tetrahydroazirino[1,2-b]isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.08914 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.09642 132.9
[M+Na]+ 168.07836 143.2
[M-H]- 144.08186 137.5
[M+NH4]+ 163.12296 150.3
[M+K]+ 184.05230 139.4
[M+H-H2O]+ 128.08640 125.9
[M+HCOO]- 190.08734 152.9
[M+CH3COO]- 204.10299 146.1
[M+Na-2H]- 166.06381 142.5
[M]+ 145.08859 133.4
[M]- 145.08969 133.4
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.