CID 34743

29848-45-1

Structural Information

Molecular Formula
C10H20O2
SMILES
CCCCCC1C(CC(O1)C)O
InChI
InChI=1S/C10H20O2/c1-3-4-5-6-10-9(11)7-8(2)12-10/h8-11H,3-7H2,1-2H3
InChIKey
NIBUJLAHUUEDRO-UHFFFAOYSA-N
Compound name
5-methyl-2-pentyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.14633 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.153606 140.9
[M+Na]+ 195.135548 147.2
[M-H]- 171.139054 143.3
[M+NH4]+ 190.180153 161.5
[M+K]+ 211.109488 146.6
[M+H-H2O]+ 155.143590 136.2
[M+HCOO]- 217.144531 160.9
[M+CH3COO]- 231.160181 178.8
[M+Na-2H]- 193.120996 143.5
[M]+ 172.14578142 141.3
[M]- 172.14687858 141.3
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

No patent data available for this compound.