CID 14231192

Decahydroquinoline-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C10H17NO2
SMILES
C1CCC2C(C1)CC(CN2)C(=O)O
InChI
InChI=1S/C10H17NO2/c12-10(13)8-5-7-3-1-2-4-9(7)11-6-8/h7-9,11H,1-6H2,(H,12,13)
InChIKey
QTEVAKSTUJYKSC-UHFFFAOYSA-N
Compound name
1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

183.12593 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.13321 141.8
[M+Na]+ 206.11515 145.0
[M-H]- 182.11865 140.6
[M+NH4]+ 201.15975 159.4
[M+K]+ 222.08909 142.1
[M+H-H2O]+ 166.12319 135.6
[M+HCOO]- 228.12413 153.8
[M+CH3COO]- 242.13978 176.4
[M+Na-2H]- 204.10060 144.8
[M]+ 183.12538 132.3
[M]- 183.12648 132.3
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

patents stripe