CID 21216986

1,3-dioxolane-4-butanol, 2-ethenyl-

Structural Information

Molecular Formula
C9H16O3
SMILES
C=CC1OCC(O1)CCCCO
InChI
InChI=1S/C9H16O3/c1-2-9-11-7-8(12-9)5-3-4-6-10/h2,8-10H,1,3-7H2
InChIKey
ZRIQNCBHTRKTIC-UHFFFAOYSA-N
Compound name
4-(2-ethenyl-1,3-dioxolan-4-yl)butan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6
Patents

172.10994 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.11722 138.8
[M+Na]+ 195.09916 144.9
[M-H]- 171.10266 141.6
[M+NH4]+ 190.14376 157.7
[M+K]+ 211.07310 145.2
[M+H-H2O]+ 155.10720 134.1
[M+HCOO]- 217.10814 158.6
[M+CH3COO]- 231.12379 176.0
[M+Na-2H]- 193.08461 143.6
[M]+ 172.10939 139.9
[M]- 172.11049 139.9
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