CID 18670324

203661-67-0

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC(C)(C)OC(=O)N1CC2CCC(CC2C1)O
InChI
InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-7-9-4-5-11(15)6-10(9)8-14/h9-11,15H,4-8H2,1-3H3
InChIKey
ISZLPPFTZXTGHT-UHFFFAOYSA-N
Compound name
tert-butyl 5-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

241.1678 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 159.2
[M+Na]+ 264.15702 164.0
[M-H]- 240.16052 160.0
[M+NH4]+ 259.20162 177.8
[M+K]+ 280.13096 162.3
[M+H-H2O]+ 224.16506 153.9
[M+HCOO]- 286.16600 172.6
[M+CH3COO]- 300.18165 189.1
[M+Na-2H]- 262.14247 160.0
[M]+ 241.16725 156.0
[M]- 241.16835 156.0
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