CID 232077

4,7-dipropyldec-5-yne-4,7-diol

Structural Information

Molecular Formula
C16H30O2
SMILES
CCCC(CCC)(C#CC(CCC)(CCC)O)O
InChI
InChI=1S/C16H30O2/c1-5-9-15(17,10-6-2)13-14-16(18,11-7-3)12-8-4/h17-18H,5-12H2,1-4H3
InChIKey
DYFAWJHYTBCXEY-UHFFFAOYSA-N
Compound name
4,7-dipropyldec-5-yne-4,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

254.22458 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.23186 168.3
[M+Na]+ 277.21380 174.2
[M-H]- 253.21730 164.9
[M+NH4]+ 272.25840 182.8
[M+K]+ 293.18774 170.9
[M+H-H2O]+ 237.22184 158.0
[M+HCOO]- 299.22278 178.7
[M+CH3COO]- 313.23843 200.6
[M+Na-2H]- 275.19925 170.1
[M]+ 254.22403 165.2
[M]- 254.22513 165.2
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

patents stripe