CID 3038579

2-hydroxy-2-methyl-1-methylene-8-oxa-5-azoniaspiro(4.5)decane iodide

Structural Information

Molecular Formula
C10H18NO2
SMILES
CC1(CC[N+]2(C1=C)CCOCC2)O
InChI
InChI=1S/C10H18NO2/c1-9-10(2,12)3-4-11(9)5-7-13-8-6-11/h12H,1,3-8H2,2H3/q+1
InChIKey
BPIWZGNHBAFGGG-UHFFFAOYSA-N
Compound name
3-methyl-4-methylidene-8-oxa-5-azoniaspiro[4.5]decan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.13376 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.14104 138.7
[M+Na]+ 207.12298 145.1
[M-H]- 183.12648 142.2
[M+NH4]+ 202.16758 161.1
[M+K]+ 223.09692 138.3
[M+H-H2O]+ 167.13102 136.6
[M+HCOO]- 229.13196 154.4
[M+CH3COO]- 243.14761 168.9
[M+Na-2H]- 205.10843 146.4
[M]+ 184.13321 131.5
[M]- 184.13431 131.5
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.