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

30
Patents

144.07864 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.085916 129.5
[M+Na]+ 167.067858 134.6
[M-H]- 143.071364 132.5
[M+NH4]+ 162.112463 144.2
[M+K]+ 183.041798 139.0
[M+H-H2O]+ 127.075900 121.0
[M+HCOO]- 189.076841 147.7
[M+CH3COO]- 203.092491 175.5
[M+Na-2H]- 165.053306 134.9
[M]+ 144.07809142 138.2
[M]- 144.07918858 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