CID 71463787

1246034-86-5

Structural Information

Molecular Formula
C15H25NO4
SMILES
CC(C)(C)OC(=O)N1CCC2CC(CCC2C1)C(=O)O
InChI
InChI=1S/C15H25NO4/c1-15(2,3)20-14(19)16-7-6-10-8-11(13(17)18)4-5-12(10)9-16/h10-12H,4-9H2,1-3H3,(H,17,18)
InChIKey
CYJKTZMTUVOTHR-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.17834 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.18562 166.2
[M+Na]+ 306.16756 173.5
[M+NH4]+ 301.21216 172.0
[M+K]+ 322.14150 170.4
[M-H]- 282.17106 164.8
[M+Na-2H]- 304.15301 166.3
[M]+ 283.17779 166.4
[M]- 283.17889 166.4
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.