CID 3038577

2-hydroxy-2-methyl-1-methylene-5-azoniaspiro(4.5)decane iodide

Structural Information

Molecular Formula
C11H20NO
SMILES
CC1(CC[N+]2(C1=C)CCCCC2)O
InChI
InChI=1S/C11H20NO/c1-10-11(2,13)6-9-12(10)7-4-3-5-8-12/h13H,1,3-9H2,2H3/q+1
InChIKey
IWFIALHRBRCLPJ-UHFFFAOYSA-N
Compound name
3-methyl-4-methylidene-5-azoniaspiro[4.5]decan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.1545 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.16178 141.7
[M+Na]+ 205.14372 147.7
[M-H]- 181.14722 144.4
[M+NH4]+ 200.18832 165.5
[M+K]+ 221.11766 139.2
[M+H-H2O]+ 165.15176 139.3
[M+HCOO]- 227.15270 157.8
[M+CH3COO]- 241.16835 169.9
[M+Na-2H]- 203.12917 147.7
[M]+ 182.15395 132.8
[M]- 182.15505 132.8
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.