CID 127019859

1934839-52-7

Structural Information

Molecular Formula
C7H9NO2
SMILES
C1CC(C1)C(C#N)C(=O)O
InChI
InChI=1S/C7H9NO2/c8-4-6(7(9)10)5-2-1-3-5/h5-6H,1-3H2,(H,9,10)
InChIKey
ZYLAKDDSWCZSQE-UHFFFAOYSA-N
Compound name
2-cyano-2-cyclobutylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.06332 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 126.6
[M+Na]+ 162.052538 132.6
[M-H]- 138.056044 128.7
[M+NH4]+ 157.097143 139.3
[M+K]+ 178.026478 135.9
[M+H-H2O]+ 122.060580 110.7
[M+HCOO]- 184.061521 142.6
[M+CH3COO]- 198.077171 187.9
[M+Na-2H]- 160.037986 130.0
[M]+ 139.06277142 127.5
[M]- 139.06386858 127.5
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

No patent data available for this compound.