CID 11389553

2230807-77-7

Structural Information

Molecular Formula
C8H16O3
SMILES
CC(C)(C)C(CCC(=O)O)O
InChI
InChI=1S/C8H16O3/c1-8(2,3)6(9)4-5-7(10)11/h6,9H,4-5H2,1-3H3,(H,10,11)
InChIKey
FVWZWJFENZDATQ-UHFFFAOYSA-N
Compound name
4-hydroxy-5,5-dimethylhexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

160.10994 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.11722 136.9
[M+Na]+ 183.09916 142.8
[M-H]- 159.10266 134.5
[M+NH4]+ 178.14376 156.5
[M+K]+ 199.07310 142.4
[M+H-H2O]+ 143.10720 133.1
[M+HCOO]- 205.10814 154.4
[M+CH3COO]- 219.12379 174.3
[M+Na-2H]- 181.08461 140.1
[M]+ 160.10939 136.9
[M]- 160.11049 136.9
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