CID 81697428

2228889-33-4

Structural Information

Molecular Formula
C6H7NO3
SMILES
C1C(CC1(C#N)O)C(=O)O
InChI
InChI=1S/C6H7NO3/c7-3-6(10)1-4(2-6)5(8)9/h4,10H,1-2H2,(H,8,9)
InChIKey
KXRISASIKODCLE-UHFFFAOYSA-N
Compound name
3-cyano-3-hydroxycyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

141.04259 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04987 130.0
[M+Na]+ 164.03181 134.9
[M+NH4]+ 159.07641 131.3
[M+K]+ 180.00575 128.9
[M-H]- 140.03531 119.9
[M+Na-2H]- 162.01726 129.9
[M]+ 141.04204 125.8
[M]- 141.04314 125.8
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