CID 97805095

(2r,3r)-2-prop-1-en-2-yloxane-3-carboxylic acid

Structural Information

Molecular Formula
C9H14O3
SMILES
CC(=C)[C@H]1[C@@H](CCCO1)C(=O)O
InChI
InChI=1S/C9H14O3/c1-6(2)8-7(9(10)11)4-3-5-12-8/h7-8H,1,3-5H2,2H3,(H,10,11)/t7-,8+/m1/s1
InChIKey
ZXTVZAVFOBOTOR-SFYZADRCSA-N
Compound name
(2R,3R)-2-prop-1-en-2-yloxane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0943 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 136.7
[M+Na]+ 193.08352 141.6
[M-H]- 169.08702 138.9
[M+NH4]+ 188.12812 154.8
[M+K]+ 209.05746 141.6
[M+H-H2O]+ 153.09156 131.5
[M+HCOO]- 215.09250 153.5
[M+CH3COO]- 229.10815 177.1
[M+Na-2H]- 191.06897 139.3
[M]+ 170.09375 133.1
[M]- 170.09485 133.1
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.