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]+ 184.133206 141.8
[M+Na]+ 206.115148 145.0
[M-H]- 182.118654 140.6
[M+NH4]+ 201.159753 159.4
[M+K]+ 222.089088 142.1
[M+H-H2O]+ 166.123190 135.6
[M+HCOO]- 228.124131 153.8
[M+CH3COO]- 242.139781 176.4
[M+Na-2H]- 204.100596 144.8
[M]+ 183.12538142 132.3
[M]- 183.12647858 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