CID 11829396

Rac-[(1r,2r)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methanol

Structural Information

Molecular Formula
C6H10O2
SMILES
C=C1[C@@H]([C@H]1CO)CO
InChI
InChI=1S/C6H10O2/c1-4-5(2-7)6(4)3-8/h5-8H,1-3H2/t5-,6-/m0/s1
InChIKey
SUAJNHGXHTVCFN-WDSKDSINSA-N
Compound name
[(1R,2R)-2-(hydroxymethyl)-3-methylidenecyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

114.06808 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.075356 120.4
[M+Na]+ 137.057298 130.9
[M-H]- 113.060804 123.3
[M+NH4]+ 132.101903 137.6
[M+K]+ 153.031238 127.6
[M+H-H2O]+ 97.065340 116.0
[M+HCOO]- 159.066281 142.3
[M+CH3COO]- 173.081931 169.6
[M+Na-2H]- 135.042746 126.0
[M]+ 114.06753142 122.3
[M]- 114.06862858 122.3
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

patents stripe