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]+ 139.07536 126.7
[M+Na]+ 161.05730 134.6
[M-H]- 137.06080 128.4
[M+NH4]+ 156.10190 141.4
[M+K]+ 177.03124 135.6
[M+H-H2O]+ 121.06534 113.2
[M+HCOO]- 183.06628 141.5
[M+CH3COO]- 197.08193 182.9
[M+Na-2H]- 159.04275 131.5
[M]+ 138.06753 128.2
[M]- 138.06863 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