CID 70037351

2307710-65-0

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)N1C[C@@H]2CCCC[C@@H]2C1C(=O)O
InChI
InChI=1S/C14H23NO4/c1-14(2,3)19-13(18)15-8-9-6-4-5-7-10(9)11(15)12(16)17/h9-11H,4-8H2,1-3H3,(H,16,17)/t9-,10-,11?/m0/s1
InChIKey
AIBSQHAPZPSICF-QRHSGQBVSA-N
Compound name
(3aR,7aS)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

269.16272 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17000 162.6
[M+Na]+ 292.15194 168.8
[M+NH4]+ 287.19654 168.3
[M+K]+ 308.12588 168.1
[M-H]- 268.15544 160.4
[M+Na-2H]- 290.13739 161.9
[M]+ 269.16217 162.3
[M]- 269.16327 162.3
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