CID 12721336

79091-89-7

Structural Information

Molecular Formula
C7H10O2
SMILES
C=C[C@@H]1CC[C@H]1C(=O)O
InChI
InChI=1S/C7H10O2/c1-2-5-3-4-6(5)7(8)9/h2,5-6H,1,3-4H2,(H,8,9)/t5-,6-/m1/s1
InChIKey
ZMPDMVMEGRLDBH-PHDIDXHHSA-N
Compound name
(1R,2S)-2-ethenylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

126.06808 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 127.0
[M+Na]+ 149.05730 132.6
[M+NH4]+ 144.10190 130.7
[M+K]+ 165.03124 129.9
[M-H]- 125.06080 124.3
[M+Na-2H]- 147.04275 128.2
[M]+ 126.06753 125.6
[M]- 126.06863 125.6
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.