CID 165990874

1-cyanospiro[2.2]pentane-1-carboxylic acid

Structural Information

Molecular Formula
C7H7NO2
SMILES
C1CC12CC2(C#N)C(=O)O
InChI
InChI=1S/C7H7NO2/c8-4-7(5(9)10)3-6(7)1-2-6/h1-3H2,(H,9,10)
InChIKey
XHQKQSINJVZARP-UHFFFAOYSA-N
Compound name
2-cyanospiro[2.2]pentane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

137.04768 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05496 136.7
[M+Na]+ 160.03690 154.8
[M-H]- 136.04040 145.8
[M+NH4]+ 155.08150 151.8
[M+K]+ 176.01084 148.9
[M+H-H2O]+ 120.04494 133.5
[M+HCOO]- 182.04588 155.0
[M+CH3COO]- 196.06153 195.1
[M+Na-2H]- 158.02235 145.3
[M]+ 137.04713 139.8
[M]- 137.04823 139.8
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

No patent data available for this compound.