CID 71683266

1-(prop-2-yn-1-yl)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C8H10O2
SMILES
C#CCC1(CCC1)C(=O)O
InChI
InChI=1S/C8H10O2/c1-2-4-8(7(9)10)5-3-6-8/h1H,3-6H2,(H,9,10)
InChIKey
SMCGRXBUOCSXTH-UHFFFAOYSA-N
Compound name
1-prop-2-ynylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

138.06808 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.075356 126.7
[M+Na]+ 161.057298 134.6
[M-H]- 137.060804 128.4
[M+NH4]+ 156.101903 141.4
[M+K]+ 177.031238 135.6
[M+H-H2O]+ 121.065340 113.2
[M+HCOO]- 183.066281 141.5
[M+CH3COO]- 197.081931 182.9
[M+Na-2H]- 159.042746 131.5
[M]+ 138.06753142 128.2
[M]- 138.06862858 128.2
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