CID 21936005

4-(2-hydroxyethyl)oxan-4-ol

Structural Information

Molecular Formula
C7H14O3
SMILES
C1COCCC1(CCO)O
InChI
InChI=1S/C7H14O3/c8-4-1-7(9)2-5-10-6-3-7/h8-9H,1-6H2
InChIKey
DTWKYBUPVPGWDU-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethyl)oxan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

146.0943 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.101576 130.8
[M+Na]+ 169.083518 136.0
[M-H]- 145.087024 131.8
[M+NH4]+ 164.128123 151.2
[M+K]+ 185.057458 136.1
[M+H-H2O]+ 129.091560 126.5
[M+HCOO]- 191.092501 148.4
[M+CH3COO]- 205.108151 166.7
[M+Na-2H]- 167.068966 138.3
[M]+ 146.09375142 127.2
[M]- 146.09484858 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