CID 574559

Decahydroquinolin-4-ol

Structural Information

Molecular Formula
C9H17NO
SMILES
C1CCC2C(C1)C(CCN2)O
InChI
InChI=1S/C9H17NO/c11-9-5-6-10-8-4-2-1-3-7(8)9/h7-11H,1-6H2
InChIKey
MLQARXBFLAEGNM-UHFFFAOYSA-N
Compound name
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

45
Patents

155.13101 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 135.4
[M+Na]+ 178.12023 139.1
[M-H]- 154.12373 134.4
[M+NH4]+ 173.16483 154.4
[M+K]+ 194.09417 136.1
[M+H-H2O]+ 138.12827 129.4
[M+HCOO]- 200.12921 148.4
[M+CH3COO]- 214.14486 171.2
[M+Na-2H]- 176.10568 140.1
[M]+ 155.13046 125.5
[M]- 155.13156 125.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe