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

19
Patents

158.0943 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.101576 133.9
[M+Na]+ 181.083518 139.5
[M-H]- 157.087024 136.3
[M+NH4]+ 176.128123 154.3
[M+K]+ 197.057458 140.2
[M+H-H2O]+ 141.091560 129.7
[M+HCOO]- 203.092501 152.4
[M+CH3COO]- 217.108151 172.8
[M+Na-2H]- 179.068966 138.6
[M]+ 158.09375142 132.4
[M]- 158.09484858 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