CID 227181

4-(oxolan-2-yl)butan-2-ol

Structural Information

Molecular Formula
C8H16O2
SMILES
CC(CCC1CCCO1)O
InChI
InChI=1S/C8H16O2/c1-7(9)4-5-8-3-2-6-10-8/h7-9H,2-6H2,1H3
InChIKey
JBLNBMHKAAHKDC-UHFFFAOYSA-N
Compound name
4-(oxolan-2-yl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

19
Patents

144.11504 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.122316 133.5
[M+Na]+ 167.104258 138.5
[M-H]- 143.107764 135.6
[M+NH4]+ 162.148863 154.5
[M+K]+ 183.078198 138.9
[M+H-H2O]+ 127.112300 128.6
[M+HCOO]- 189.113241 153.1
[M+CH3COO]- 203.128891 171.3
[M+Na-2H]- 165.089706 137.2
[M]+ 144.11449142 131.7
[M]- 144.11558858 131.7
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