CID 131477650

6-cyano-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid

Structural Information

Molecular Formula
C12H11NO2
SMILES
C1CC(C2=C(C1)C=C(C=C2)C#N)C(=O)O
InChI
InChI=1S/C12H11NO2/c13-7-8-4-5-10-9(6-8)2-1-3-11(10)12(14)15/h4-6,11H,1-3H2,(H,14,15)
InChIKey
OYBSQLMYARRFMD-UHFFFAOYSA-N
Compound name
6-cyano-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.07898 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.08626 145.6
[M+Na]+ 224.06820 155.3
[M-H]- 200.07170 148.3
[M+NH4]+ 219.11280 163.3
[M+K]+ 240.04214 149.9
[M+H-H2O]+ 184.07624 133.9
[M+HCOO]- 246.07718 161.3
[M+CH3COO]- 260.09283 195.5
[M+Na-2H]- 222.05365 150.0
[M]+ 201.07843 138.2
[M]- 201.07953 138.2
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.