CID 120773

Tecostanine

Structural Information

Molecular Formula
C11H21NO
SMILES
CC1CCC2C1CN(CC2CO)C
InChI
InChI=1S/C11H21NO/c1-8-3-4-10-9(7-13)5-12(2)6-11(8)10/h8-11,13H,3-7H2,1-2H3
InChIKey
CRVXJVHSLVEDRI-UHFFFAOYSA-N
Compound name
(2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

183.16231 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.16959 143.3
[M+Na]+ 206.15153 153.0
[M+NH4]+ 201.19613 152.3
[M+K]+ 222.12547 148.7
[M-H]- 182.15503 144.5
[M+Na-2H]- 204.13698 145.3
[M]+ 183.16176 144.8
[M]- 183.16286 144.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe