CID 219209

Nsc199

Structural Information

Molecular Formula
C13H22O2
SMILES
CCC(C)(C#CC1(CCCCC1C)O)O
InChI
InChI=1S/C13H22O2/c1-4-12(3,14)9-10-13(15)8-6-5-7-11(13)2/h11,14-15H,4-8H2,1-3H3
InChIKey
DDJQGIZOJAHBEF-UHFFFAOYSA-N
Compound name
1-(3-hydroxy-3-methylpent-1-ynyl)-2-methylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.16199 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.16927 153.6
[M+Na]+ 233.15121 161.3
[M-H]- 209.15471 153.4
[M+NH4]+ 228.19581 171.4
[M+K]+ 249.12515 156.5
[M+H-H2O]+ 193.15925 144.1
[M+HCOO]- 255.16019 163.9
[M+CH3COO]- 269.17584 189.5
[M+Na-2H]- 231.13666 156.4
[M]+ 210.16144 144.7
[M]- 210.16254 144.7
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.