CID 105533174

1903425-85-3

Structural Information

Molecular Formula
C6H7NO2
SMILES
C1C[C@H]([C@@H]1C#N)C(=O)O
InChI
InChI=1S/C6H7NO2/c7-3-4-1-2-5(4)6(8)9/h4-5H,1-2H2,(H,8,9)/t4-,5+/m0/s1
InChIKey
IGBHPXFFSBIMKR-CRCLSJGQSA-N
Compound name
(1R,2R)-2-cyanocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

125.047676 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.05495 119.7
[M+Na]+ 148.03689 127.2
[M-H]- 124.04040 122.4
[M+NH4]+ 143.08150 133.3
[M+K]+ 164.01083 130.5
[M+H-H2O]+ 108.04494 104.4
[M+HCOO]- 170.04588 137.0
[M+CH3COO]- 184.06153 185.5
[M+Na-2H]- 146.02234 124.4
[M]+ 125.04713 121.3
[M]- 125.04822 121.3
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