CID 75422256

6-cyanospiro[3.3]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C9H11NO2
SMILES
C1C(CC12CC(C2)C(=O)O)C#N
InChI
InChI=1S/C9H11NO2/c10-5-6-1-9(2-6)3-7(4-9)8(11)12/h6-7H,1-4H2,(H,11,12)
InChIKey
ADUDROSLTSCLAT-UHFFFAOYSA-N
Compound name
6-cyanospiro[3.3]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

165.07898 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 125.0
[M+Na]+ 188.068198 130.8
[M-H]- 164.071704 129.4
[M+NH4]+ 183.112803 133.0
[M+K]+ 204.042138 135.9
[M+H-H2O]+ 148.076240 107.7
[M+HCOO]- 210.077181 139.1
[M+CH3COO]- 224.092831 199.8
[M+Na-2H]- 186.053646 129.6
[M]+ 165.07843142 133.5
[M]- 165.07952858 133.5
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