CID 20260991

2-methyl-2-(oxolan-2-yl)propanoic acid

Structural Information

Molecular Formula
C8H14O3
SMILES
CC(C)(C1CCCO1)C(=O)O
InChI
InChI=1S/C8H14O3/c1-8(2,7(9)10)6-4-3-5-11-6/h6H,3-5H2,1-2H3,(H,9,10)
InChIKey
WZMOEYCPWHIRPE-UHFFFAOYSA-N
Compound name
2-methyl-2-(oxolan-2-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

158.0943 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.10158 133.9
[M+Na]+ 181.08352 139.5
[M-H]- 157.08702 136.3
[M+NH4]+ 176.12812 154.3
[M+K]+ 197.05746 140.2
[M+H-H2O]+ 141.09156 129.7
[M+HCOO]- 203.09250 152.4
[M+CH3COO]- 217.10815 172.8
[M+Na-2H]- 179.06897 138.6
[M]+ 158.09375 132.4
[M]- 158.09485 132.4
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