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]+ 202.086256 145.6
[M+Na]+ 224.068198 155.3
[M-H]- 200.071704 148.3
[M+NH4]+ 219.112803 163.3
[M+K]+ 240.042138 149.9
[M+H-H2O]+ 184.076240 133.9
[M+HCOO]- 246.077181 161.3
[M+CH3COO]- 260.092831 195.5
[M+Na-2H]- 222.053646 150.0
[M]+ 201.07843142 138.2
[M]- 201.07952858 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.