CID 62739013

2,2-dimethyl-3-(oxan-4-yl)propanoic acid

Structural Information

Molecular Formula
C10H18O3
SMILES
CC(C)(CC1CCOCC1)C(=O)O
InChI
InChI=1S/C10H18O3/c1-10(2,9(11)12)7-8-3-5-13-6-4-8/h8H,3-7H2,1-2H3,(H,11,12)
InChIKey
YTKCURONSSHPOB-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-(oxan-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

186.1256 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.132876 142.1
[M+Na]+ 209.114818 146.0
[M-H]- 185.118324 144.0
[M+NH4]+ 204.159423 159.6
[M+K]+ 225.088758 146.4
[M+H-H2O]+ 169.122860 137.1
[M+HCOO]- 231.123801 157.9
[M+CH3COO]- 245.139451 179.2
[M+Na-2H]- 207.100266 147.0
[M]+ 186.12505142 139.4
[M]- 186.12614858 139.4
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