CID 14028999

114012-39-4

Structural Information

Molecular Formula
C7H12O3
SMILES
CC(C)C1(COC1)C(=O)O
InChI
InChI=1S/C7H12O3/c1-5(2)7(6(8)9)3-10-4-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKey
XEZZNVDAVOQZKD-UHFFFAOYSA-N
Compound name
3-propan-2-yloxetane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

144.07864 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 129.5
[M+Na]+ 167.06786 134.6
[M-H]- 143.07136 132.5
[M+NH4]+ 162.11246 144.2
[M+K]+ 183.04180 139.0
[M+H-H2O]+ 127.07590 121.0
[M+HCOO]- 189.07684 147.7
[M+CH3COO]- 203.09249 175.5
[M+Na-2H]- 165.05331 134.9
[M]+ 144.07809 138.2
[M]- 144.07919 138.2
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