CID 136589279

2307778-35-2

Structural Information

Molecular Formula
C11H17N3
SMILES
CC1=NC2=C(N1)CC[C@H]3[C@@H]2CCCN3
InChI
InChI=1S/C11H17N3/c1-7-13-10-5-4-9-8(11(10)14-7)3-2-6-12-9/h8-9,12H,2-6H2,1H3,(H,13,14)/t8-,9-/m0/s1
InChIKey
CAQAYUMAHGRIPK-IUCAKERBSA-N
Compound name
(5aS,9aS)-2-methyl-4,5,5a,6,7,8,9,9a-octahydro-3H-imidazo[4,5-f]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.14224 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.14952 145.4
[M+Na]+ 214.13146 151.8
[M-H]- 190.13496 143.1
[M+NH4]+ 209.17606 163.4
[M+K]+ 230.10540 146.5
[M+H-H2O]+ 174.13950 137.6
[M+HCOO]- 236.14044 157.0
[M+CH3COO]- 250.15609 155.3
[M+Na-2H]- 212.11691 149.2
[M]+ 191.14169 137.3
[M]- 191.14279 137.3
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.