CID 34732

2,2,4,5,5-pentamethyltetrahydro-3-furanol

Structural Information

Molecular Formula
C9H18O2
SMILES
CC1C(C(OC1(C)C)(C)C)O
InChI
InChI=1S/C9H18O2/c1-6-7(10)9(4,5)11-8(6,2)3/h6-7,10H,1-5H3
InChIKey
FAZUTHJTMSZUMO-UHFFFAOYSA-N
Compound name
2,2,4,5,5-pentamethyloxolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.13068 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.13796 129.4
[M+Na]+ 181.11990 138.9
[M-H]- 157.12340 133.3
[M+NH4]+ 176.16450 155.1
[M+K]+ 197.09384 139.0
[M+H-H2O]+ 141.12794 127.6
[M+HCOO]- 203.12888 149.8
[M+CH3COO]- 217.14453 176.3
[M+Na-2H]- 179.10535 135.1
[M]+ 158.13013 130.7
[M]- 158.13123 130.7
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.