CID 3017928

69343-73-3

Structural Information

Molecular Formula
C10H20O2
SMILES
CC(=CCC(CO)C(C)(C)O)C
InChI
InChI=1S/C10H20O2/c1-8(2)5-6-9(7-11)10(3,4)12/h5,9,11-12H,6-7H2,1-4H3
InChIKey
QMOAXOFWWFUAKB-UHFFFAOYSA-N
Compound name
3-methyl-2-(3-methylbut-2-enyl)butane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.14633 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.153606 143.2
[M+Na]+ 195.135548 148.4
[M-H]- 171.139054 140.5
[M+NH4]+ 190.180153 162.5
[M+K]+ 211.109488 146.9
[M+H-H2O]+ 155.143590 139.4
[M+HCOO]- 217.144531 159.9
[M+CH3COO]- 231.160181 178.3
[M+Na-2H]- 193.120996 145.3
[M]+ 172.14578142 142.5
[M]- 172.14687858 142.5
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.