CID 538372

1,3-dioxolane-2-butanol, 2-methyl-

Structural Information

Molecular Formula
C8H16O3
SMILES
CC1(OCCO1)CCCCO
InChI
InChI=1S/C8H16O3/c1-8(4-2-3-5-9)10-6-7-11-8/h9H,2-7H2,1H3
InChIKey
LGRQYAIQTHIDNW-UHFFFAOYSA-N
Compound name
4-(2-methyl-1,3-dioxolan-2-yl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

160.10994 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.117216 134.1
[M+Na]+ 183.099158 140.2
[M-H]- 159.102664 137.1
[M+NH4]+ 178.143763 155.3
[M+K]+ 199.073098 141.7
[M+H-H2O]+ 143.107200 130.2
[M+HCOO]- 205.108141 154.0
[M+CH3COO]- 219.123791 172.2
[M+Na-2H]- 181.084606 141.4
[M]+ 160.10939142 135.5
[M]- 160.11048858 135.5
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