CID 130122243

(3ar,7as)-octahydro-2h-isoindole-2-ethanol

Structural Information

Molecular Formula
C10H19NO
SMILES
C1CC[C@H]2CN(C[C@H]2C1)CCO
InChI
InChI=1S/C10H19NO/c12-6-5-11-7-9-3-1-2-4-10(9)8-11/h9-10,12H,1-8H2/t9-,10+
InChIKey
GZLMLIGFXZMOSP-AOOOYVTPSA-N
Compound name
2-[(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

169.14667 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.153946 140.3
[M+Na]+ 192.135888 145.0
[M-H]- 168.139394 140.7
[M+NH4]+ 187.180493 161.4
[M+K]+ 208.109828 142.5
[M+H-H2O]+ 152.143930 134.2
[M+HCOO]- 214.144871 156.7
[M+CH3COO]- 228.160521 176.3
[M+Na-2H]- 190.121336 143.2
[M]+ 169.14612142 134.7
[M]- 169.14721858 134.7
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.