CID 88592027

(2r)-1-methoxypent-4-yn-2-ol

Structural Information

Molecular Formula
C6H10O2
SMILES
COC[C@@H](CC#C)O
InChI
InChI=1S/C6H10O2/c1-3-4-6(7)5-8-2/h1,6-7H,4-5H2,2H3/t6-/m1/s1
InChIKey
AHYRVNKHSDIXGZ-ZCFIWIBFSA-N
Compound name
(2R)-1-methoxypent-4-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

114.06808 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.07536 121.6
[M+Na]+ 137.05730 131.5
[M+NH4]+ 132.10190 125.8
[M+K]+ 153.03124 124.0
[M-H]- 113.06080 112.7
[M+Na-2H]- 135.04275 122.5
[M]+ 114.06753 119.4
[M]- 114.06863 119.4
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