CID 14320849

67528-55-6

Structural Information

Molecular Formula
C7H14O2
SMILES
CC1([C@@H]([C@@H]1CO)CO)C
InChI
InChI=1S/C7H14O2/c1-7(2)5(3-8)6(7)4-9/h5-6,8-9H,3-4H2,1-2H3/t5-,6+
InChIKey
YTFDQYUOJBRVIC-OLQVQODUSA-N
Compound name
[(1S,3R)-3-(hydroxymethyl)-2,2-dimethylcyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

130.09938 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.10666 125.8
[M+Na]+ 153.08860 136.2
[M-H]- 129.09210 128.7
[M+NH4]+ 148.13320 144.3
[M+K]+ 169.06254 134.2
[M+H-H2O]+ 113.09664 122.4
[M+HCOO]- 175.09758 146.7
[M+CH3COO]- 189.11323 172.9
[M+Na-2H]- 151.07405 132.0
[M]+ 130.09883 129.1
[M]- 130.09993 129.1
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