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]+ 184.16959 144.8
[M+Na]+ 206.15153 150.0
[M-H]- 182.15503 145.4
[M+NH4]+ 201.19613 165.7
[M+K]+ 222.12547 147.2
[M+H-H2O]+ 166.15957 138.8
[M+HCOO]- 228.16051 160.8
[M+CH3COO]- 242.17616 180.5
[M+Na-2H]- 204.13698 146.5
[M]+ 183.16176 139.9
[M]- 183.16286 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.