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

3
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 124.1
[M+Na]+ 149.05730 129.9
[M-H]- 125.06080 126.4
[M+NH4]+ 144.10190 139.1
[M+K]+ 165.03124 131.7
[M+H-H2O]+ 109.06534 114.7
[M+HCOO]- 171.06628 144.2
[M+CH3COO]- 185.08193 173.3
[M+Na-2H]- 147.04275 128.0
[M]+ 126.06753 130.8
[M]- 126.06863 130.8
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

patents stripe