CID 11084346

Hexanal butane-2,3-diol acetal

Structural Information

Molecular Formula
C10H20O2
SMILES
CCCCCC1OC(C(O1)C)C
InChI
InChI=1S/C10H20O2/c1-4-5-6-7-10-11-8(2)9(3)12-10/h8-10H,4-7H2,1-3H3
InChIKey
CMOJDAJROWMHLQ-UHFFFAOYSA-N
Compound name
4,5-dimethyl-2-pentyl-1,3-dioxolane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

57
Patents

172.14633 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.15361 140.7
[M+Na]+ 195.13555 147.5
[M-H]- 171.13905 145.1
[M+NH4]+ 190.18015 160.8
[M+K]+ 211.10949 148.7
[M+H-H2O]+ 155.14359 136.0
[M+HCOO]- 217.14453 161.2
[M+CH3COO]- 231.16018 181.6
[M+Na-2H]- 193.12100 144.8
[M]+ 172.14578 143.6
[M]- 172.14688 143.6
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