CID 44335

63023-82-5

Structural Information

Molecular Formula
C11H21NO
SMILES
CC1CCC2CN(CC2C1)CCO
InChI
InChI=1S/C11H21NO/c1-9-2-3-10-7-12(4-5-13)8-11(10)6-9/h9-11,13H,2-8H2,1H3
InChIKey
COKYWGMQUAMRCV-UHFFFAOYSA-N
Compound name
2-(5-methyl-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

183.16231 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.169586 144.8
[M+Na]+ 206.151528 150.0
[M-H]- 182.155034 145.4
[M+NH4]+ 201.196133 165.7
[M+K]+ 222.125468 147.2
[M+H-H2O]+ 166.159570 138.8
[M+HCOO]- 228.160511 160.8
[M+CH3COO]- 242.176161 180.5
[M+Na-2H]- 204.136976 146.5
[M]+ 183.16176142 139.9
[M]- 183.16285858 139.9
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.