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 130.8
[M+Na]+ 169.08352 136.0
[M-H]- 145.08702 131.8
[M+NH4]+ 164.12812 151.2
[M+K]+ 185.05746 136.1
[M+H-H2O]+ 129.09156 126.5
[M+HCOO]- 191.09250 148.4
[M+CH3COO]- 205.10815 166.7
[M+Na-2H]- 167.06897 138.3
[M]+ 146.09375 127.2
[M]- 146.09485 127.2
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