CID 95165243

39168-06-4

Structural Information

Molecular Formula
C6H12O2
SMILES
C[C@H]1COC[C@@H]1CO
InChI
InChI=1S/C6H12O2/c1-5-3-8-4-6(5)2-7/h5-7H,2-4H2,1H3/t5-,6-/m0/s1
InChIKey
QPINGVLALQINHU-WDSKDSINSA-N
Compound name
[(3S,4R)-4-methyloxolan-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

116.08373 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.09101 122.7
[M+Na]+ 139.07295 129.7
[M-H]- 115.07645 125.5
[M+NH4]+ 134.11755 145.3
[M+K]+ 155.04689 130.2
[M+H-H2O]+ 99.080990 118.5
[M+HCOO]- 161.08193 144.0
[M+CH3COO]- 175.09758 165.5
[M+Na-2H]- 137.05840 128.2
[M]+ 116.08318 121.3
[M]- 116.08428 121.3
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.