CID 3079048

4,5-dihydro-2,4-dimethyl-5-methoxy-3-furanmethanol

Structural Information

Molecular Formula
C8H14O3
SMILES
CC1C(OC(=C1CO)C)OC
InChI
InChI=1S/C8H14O3/c1-5-7(4-9)6(2)11-8(5)10-3/h5,8-9H,4H2,1-3H3
InChIKey
HXZXPTXZYXERFC-UHFFFAOYSA-N
Compound name
(2-methoxy-3,5-dimethyl-2,3-dihydrofuran-4-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

158.0943 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 131.5
[M+Na]+ 181.08352 140.5
[M-H]- 157.08702 135.1
[M+NH4]+ 176.12812 153.1
[M+K]+ 197.05746 140.8
[M+H-H2O]+ 141.09156 127.3
[M+HCOO]- 203.09250 153.9
[M+CH3COO]- 217.10815 175.6
[M+Na-2H]- 179.06897 135.7
[M]+ 158.09375 134.5
[M]- 158.09485 134.5
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

patents stripe