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 149.4
[M+Na]+ 242.11515 155.6
[M-H]- 218.11865 150.8
[M+NH4]+ 237.15975 166.9
[M+K]+ 258.08909 152.8
[M+H-H2O]+ 202.12319 142.8
[M+HCOO]- 264.12413 165.4
[M+CH3COO]- 278.13978 188.8
[M+Na-2H]- 240.10060 152.5
[M]+ 219.12538 147.0
[M]- 219.12648 147.0
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.