CID 19858285

[4-(hydroxymethyl)oxan-4-yl]methanol

Structural Information

Molecular Formula
C7H14O3
SMILES
C1COCCC1(CO)CO
InChI
InChI=1S/C7H14O3/c8-5-7(6-9)1-3-10-4-2-7/h8-9H,1-6H2
InChIKey
NKSPVEFJJKKISK-UHFFFAOYSA-N
Compound name
[4-(hydroxymethyl)oxan-4-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

146.0943 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.10158 130.7
[M+Na]+ 169.08352 140.3
[M+NH4]+ 164.12812 140.0
[M+K]+ 185.05746 134.1
[M-H]- 145.08702 132.4
[M+Na-2H]- 167.06897 135.8
[M]+ 146.09375 132.5
[M]- 146.09485 132.5
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