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]+ 170.15395 140.3
[M+Na]+ 192.13589 145.0
[M-H]- 168.13939 140.7
[M+NH4]+ 187.18049 161.4
[M+K]+ 208.10983 142.5
[M+H-H2O]+ 152.14393 134.2
[M+HCOO]- 214.14487 156.7
[M+CH3COO]- 228.16052 176.3
[M+Na-2H]- 190.12134 143.2
[M]+ 169.14612 134.7
[M]- 169.14722 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.