CID 66587197

1784227-31-1

Structural Information

Molecular Formula
C14H25NO3
SMILES
CC(C)(C)OC(=O)N1CCC2CC(CCC2C1)O
InChI
InChI=1S/C14H25NO3/c1-14(2,3)18-13(17)15-7-6-10-8-12(16)5-4-11(10)9-15/h10-12,16H,4-9H2,1-3H3
InChIKey
JRHBZKRMXSMJBC-UHFFFAOYSA-N
Compound name
tert-butyl 6-hydroxy-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

255.18344 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.190716 162.5
[M+Na]+ 278.172658 165.9
[M-H]- 254.176164 162.7
[M+NH4]+ 273.217263 178.6
[M+K]+ 294.146598 164.1
[M+H-H2O]+ 238.180700 156.3
[M+HCOO]- 300.181641 173.3
[M+CH3COO]- 314.197291 192.7
[M+Na-2H]- 276.158106 164.2
[M]+ 255.18289142 157.5
[M]- 255.18398858 157.5
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