CID 95559

3,4-dihydro-2h-pyran-2-methanol

Structural Information

Molecular Formula
C6H10O2
SMILES
C1CC(OC=C1)CO
InChI
InChI=1S/C6H10O2/c7-5-6-3-1-2-4-8-6/h2,4,6-7H,1,3,5H2
InChIKey
XMICBFRKICBBKD-UHFFFAOYSA-N
Compound name
3,4-dihydro-2H-pyran-2-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

779
Patents

114.06808 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.07536 120.6
[M+Na]+ 137.05730 126.8
[M-H]- 113.06080 123.2
[M+NH4]+ 132.10190 141.1
[M+K]+ 153.03124 127.2
[M+H-H2O]+ 97.065340 115.7
[M+HCOO]- 159.06628 141.3
[M+CH3COO]- 173.08193 164.2
[M+Na-2H]- 135.04275 129.0
[M]+ 114.06753 118.2
[M]- 114.06863 118.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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