CID 19823206

253136-30-0

Structural Information

Molecular Formula
C15H25NO4
SMILES
CC(C)(C)OC(=O)N1C2CCCCC2CCC1C(=O)O
InChI
InChI=1S/C15H25NO4/c1-15(2,3)20-14(19)16-11-7-5-4-6-10(11)8-9-12(16)13(17)18/h10-12H,4-9H2,1-3H3,(H,17,18)
InChIKey
GHHISGFNVINWNL-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

283.17834 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.18562 167.4
[M+Na]+ 306.16756 170.3
[M-H]- 282.17106 167.5
[M+NH4]+ 301.21216 182.1
[M+K]+ 322.14150 168.9
[M+H-H2O]+ 266.17560 161.2
[M+HCOO]- 328.17654 177.3
[M+CH3COO]- 342.19219 198.0
[M+Na-2H]- 304.15301 167.8
[M]+ 283.17779 163.0
[M]- 283.17889 163.0
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

patents stripe