CID 60840296

1178148-39-4

Structural Information

Molecular Formula
C13H17NO2
SMILES
CC(C)N1CCCC2=C(C=CC=C21)C(=O)O
InChI
InChI=1S/C13H17NO2/c1-9(2)14-8-4-6-10-11(13(15)16)5-3-7-12(10)14/h3,5,7,9H,4,6,8H2,1-2H3,(H,15,16)
InChIKey
DAMDITZLXXHMDP-UHFFFAOYSA-N
Compound name
1-propan-2-yl-3,4-dihydro-2H-quinoline-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 149.6
[M+Na]+ 242.11515 161.3
[M+NH4]+ 237.15975 157.6
[M+K]+ 258.08909 155.7
[M-H]- 218.11865 150.8
[M+Na-2H]- 240.10060 153.9
[M]+ 219.12538 151.4
[M]- 219.12648 151.4
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.