CID 25918826

58920-79-9

Structural Information

Molecular Formula
C7H9NO2
SMILES
COC(=O)C1(CCC1)C#N
InChI
InChI=1S/C7H9NO2/c1-10-6(9)7(5-8)3-2-4-7/h2-4H2,1H3
InChIKey
WCTZTNWBOZFXTE-UHFFFAOYSA-N
Compound name
methyl 1-cyanocyclobutane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

139.06332 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 124.0
[M+Na]+ 162.05254 131.9
[M-H]- 138.05604 128.0
[M+NH4]+ 157.09714 139.4
[M+K]+ 178.02648 135.0
[M+H-H2O]+ 122.06058 109.5
[M+HCOO]- 184.06152 142.4
[M+CH3COO]- 198.07717 188.5
[M+Na-2H]- 160.03799 130.3
[M]+ 139.06277 127.5
[M]- 139.06387 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

patents stripe