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]+ 166.08626 125.0
[M+Na]+ 188.06820 130.8
[M-H]- 164.07170 129.4
[M+NH4]+ 183.11280 133.0
[M+K]+ 204.04214 135.9
[M+H-H2O]+ 148.07624 107.7
[M+HCOO]- 210.07718 139.1
[M+CH3COO]- 224.09283 199.8
[M+Na-2H]- 186.05365 129.6
[M]+ 165.07843 133.5
[M]- 165.07953 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