CID 84064851

2-cyclopropyl-2-(oxolan-2-yl)acetic acid

Structural Information

Molecular Formula
C9H14O3
SMILES
C1CC(OC1)C(C2CC2)C(=O)O
InChI
InChI=1S/C9H14O3/c10-9(11)8(6-3-4-6)7-2-1-5-12-7/h6-8H,1-5H2,(H,10,11)
InChIKey
RHXDYUCYQPARCE-UHFFFAOYSA-N
Compound name
2-cyclopropyl-2-(oxolan-2-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0943 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 139.2
[M+Na]+ 193.08352 149.0
[M+NH4]+ 188.12812 147.4
[M+K]+ 209.05746 148.5
[M-H]- 169.08702 148.2
[M+Na-2H]- 191.06897 144.8
[M]+ 170.09375 143.9
[M]- 170.09485 143.9
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

No patent data available for this compound.