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]+ 171.101576 134.1
[M+Na]+ 193.083518 140.8
[M-H]- 169.087024 140.5
[M+NH4]+ 188.128123 149.0
[M+K]+ 209.057458 140.1
[M+H-H2O]+ 153.091560 128.5
[M+HCOO]- 215.092501 153.1
[M+CH3COO]- 229.108151 178.5
[M+Na-2H]- 191.068966 137.1
[M]+ 170.09375142 134.4
[M]- 170.09484858 134.4
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

No patent data available for this compound.