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

11
Patents

255.18344 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.19072 162.5
[M+Na]+ 278.17266 165.9
[M-H]- 254.17616 162.7
[M+NH4]+ 273.21726 178.6
[M+K]+ 294.14660 164.1
[M+H-H2O]+ 238.18070 156.3
[M+HCOO]- 300.18164 173.3
[M+CH3COO]- 314.19729 192.7
[M+Na-2H]- 276.15811 164.2
[M]+ 255.18289 157.5
[M]- 255.18399 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