CID 165697825

1902219-49-1

Structural Information

Molecular Formula
C8H12O3
SMILES
C1COCC1[C@@H]2C[C@H]2C(=O)O
InChI
InChI=1S/C8H12O3/c9-8(10)7-3-6(7)5-1-2-11-4-5/h5-7H,1-4H2,(H,9,10)/t5?,6-,7+/m0/s1
InChIKey
YTNWEHOROMVJNB-BOJSHJERSA-N
Compound name
(1R,2S)-2-(oxolan-3-yl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07864 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 129.6
[M+Na]+ 179.06786 137.8
[M-H]- 155.07136 136.4
[M+NH4]+ 174.11246 145.4
[M+K]+ 195.04180 136.8
[M+H-H2O]+ 139.07590 124.3
[M+HCOO]- 201.07684 149.8
[M+CH3COO]- 215.09249 175.9
[M+Na-2H]- 177.05331 133.6
[M]+ 156.07809 130.5
[M]- 156.07919 130.5
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.