CID 134812237

Dodeca-2e-en-4,6,8-triyne-1,1-diol

Structural Information

Molecular Formula
C12H12O2
SMILES
CCCC#CC#CC#C/C=C/C(O)O
InChI
InChI=1S/C12H12O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h10-14H,2-3H2,1H3/b11-10+
InChIKey
CMSDNYVAKDOVFW-ZHACJKMWSA-N
Compound name
(E)-dodec-2-en-4,6,8-triyne-1,1-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.08372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.09100 165.2
[M+Na]+ 211.07294 172.8
[M-H]- 187.07644 167.0
[M+NH4]+ 206.11754 172.9
[M+K]+ 227.04688 169.2
[M+H-H2O]+ 171.08098 154.0
[M+HCOO]- 233.08192 167.4
[M+CH3COO]- 247.09757 226.2
[M+Na-2H]- 209.05839 163.0
[M]+ 188.08317 157.2
[M]- 188.08427 157.2
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.