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
cis-(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]+ 127.075356 124.1
[M+Na]+ 149.057298 129.9
[M-H]- 125.060804 126.4
[M+NH4]+ 144.101903 139.1
[M+K]+ 165.031238 131.7
[M+H-H2O]+ 109.065340 114.7
[M+HCOO]- 171.066281 144.2
[M+CH3COO]- 185.081931 173.3
[M+Na-2H]- 147.042746 128.0
[M]+ 126.06753142 130.8
[M]- 126.06862858 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