CID 92141

Dyskinebyl

Structural Information

Molecular Formula
C8H18O3
SMILES
CC(CCOCCC(C)O)O
InChI
InChI=1S/C8H18O3/c1-7(9)3-5-11-6-4-8(2)10/h7-10H,3-6H2,1-2H3
InChIKey
AFSYRVDDZGJTIL-UHFFFAOYSA-N
Compound name
4-(3-hydroxybutoxy)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

14
References

1441
Patents

162.1256 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.13288 139.4
[M+Na]+ 185.11482 144.4
[M-H]- 161.11832 136.5
[M+NH4]+ 180.15942 158.8
[M+K]+ 201.08876 144.2
[M+H-H2O]+ 145.12286 134.7
[M+HCOO]- 207.12380 158.2
[M+CH3COO]- 221.13945 175.6
[M+Na-2H]- 183.10027 141.7
[M]+ 162.12505 140.6
[M]- 162.12615 140.6
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