CID 121599156

[3-(methoxymethyl)oxolan-3-yl]methanol

Structural Information

Molecular Formula
C7H14O3
SMILES
COCC1(CCOC1)CO
InChI
InChI=1S/C7H14O3/c1-9-5-7(4-8)2-3-10-6-7/h8H,2-6H2,1H3
InChIKey
QYDPPBNXQSXAEF-UHFFFAOYSA-N
Compound name
[3-(methoxymethyl)oxolan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

146.0943 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.10158 129.7
[M+Na]+ 169.08352 136.2
[M-H]- 145.08702 132.2
[M+NH4]+ 164.12812 152.7
[M+K]+ 185.05746 137.0
[M+H-H2O]+ 129.09156 125.7
[M+HCOO]- 191.09250 150.9
[M+CH3COO]- 205.10815 169.0
[M+Na-2H]- 167.06897 136.6
[M]+ 146.09375 130.0
[M]- 146.09485 130.0
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.