CID 19494

Cyclobutanecarboxylic acid

Structural Information

Molecular Formula
C5H8O2
SMILES
C1CC(C1)C(=O)O
InChI
InChI=1S/C5H8O2/c6-5(7)4-2-1-3-4/h4H,1-3H2,(H,6,7)
InChIKey
TXWOGHSRPAYOML-UHFFFAOYSA-N
Compound name
cyclobutanecarboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

16
References

11368
Patents

100.05243 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.059706 116.2
[M+Na]+ 123.041648 121.7
[M-H]- 99.045154 118.5
[M+NH4]+ 118.086253 132.0
[M+K]+ 139.015588 124.5
[M+H-H2O]+ 83.049690 106.8
[M+HCOO]- 145.050631 136.8
[M+CH3COO]- 159.066281 167.2
[M+Na-2H]- 121.027096 121.9
[M]+ 100.05188142 122.5
[M]- 100.05297858 122.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe