CID 86136622

1-methylspiro[5.5]undecan-1-ol

Structural Information

Molecular Formula
C12H22O
SMILES
CC1(CCCCC12CCCCC2)O
InChI
InChI=1S/C12H22O/c1-11(13)7-5-6-10-12(11)8-3-2-4-9-12/h13H,2-10H2,1H3
InChIKey
WQGLFRCXIMPVEQ-UHFFFAOYSA-N
Compound name
5-methylspiro[5.5]undecan-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.16707 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.174346 145.5
[M+Na]+ 205.156288 149.0
[M-H]- 181.159794 148.6
[M+NH4]+ 200.200893 168.5
[M+K]+ 221.130228 146.7
[M+H-H2O]+ 165.164330 140.2
[M+HCOO]- 227.165271 160.5
[M+CH3COO]- 241.180921 177.3
[M+Na-2H]- 203.141736 150.5
[M]+ 182.16652142 136.2
[M]- 182.16761858 136.2
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.