CID 31362

126-86-3

Structural Information

Molecular Formula
C14H26O2
SMILES
CC(C)CC(C)(C#CC(C)(CC(C)C)O)O
InChI
InChI=1S/C14H26O2/c1-11(2)9-13(5,15)7-8-14(6,16)10-12(3)4/h11-12,15-16H,9-10H2,1-6H3
InChIKey
LXOFYPKXCSULTL-UHFFFAOYSA-N
Compound name
2,4,7,9-tetramethyldec-5-yne-4,7-diol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

10
References

26641
Patents

226.19328 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.200556 161.0
[M+Na]+ 249.182498 167.1
[M-H]- 225.186004 158.0
[M+NH4]+ 244.227103 176.4
[M+K]+ 265.156438 165.2
[M+H-H2O]+ 209.190540 151.2
[M+HCOO]- 271.191481 170.2
[M+CH3COO]- 285.207131 196.7
[M+Na-2H]- 247.167946 161.3
[M]+ 226.19273142 156.0
[M]- 226.19382858 156.0
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