CID 80036

2,7-dimethylocta-3,5-diyne-2,7-diol

Structural Information

Molecular Formula
C10H14O2
SMILES
CC(C)(C#CC#CC(C)(C)O)O
InChI
InChI=1S/C10H14O2/c1-9(2,11)7-5-6-8-10(3,4)12/h11-12H,1-4H3
InChIKey
CKVWIEREOYIKNC-UHFFFAOYSA-N
Compound name
2,7-dimethylocta-3,5-diyne-2,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

399
Patents

166.09938 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.10666 157.3
[M+Na]+ 189.08860 166.2
[M-H]- 165.09210 157.0
[M+NH4]+ 184.13320 170.3
[M+K]+ 205.06254 163.8
[M+H-H2O]+ 149.09664 145.2
[M+HCOO]- 211.09758 163.3
[M+CH3COO]- 225.11323 203.2
[M+Na-2H]- 187.07405 158.7
[M]+ 166.09883 148.6
[M]- 166.09993 148.6
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