CID 71683231

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

Structural Information

Molecular Formula
C12H11NO2
SMILES
C1CC(CC2=CC=CC=C21)(C#N)C(=O)O
InChI
InChI=1S/C12H11NO2/c13-8-12(11(14)15)6-5-9-3-1-2-4-10(9)7-12/h1-4H,5-7H2,(H,14,15)
InChIKey
RQOKINGODIOQSN-UHFFFAOYSA-N
Compound name
2-cyano-3,4-dihydro-1H-naphthalene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

201.07898 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.086256 147.6
[M+Na]+ 224.068198 157.7
[M-H]- 200.071704 150.4
[M+NH4]+ 219.112803 166.9
[M+K]+ 240.042138 151.6
[M+H-H2O]+ 184.076240 136.2
[M+HCOO]- 246.077181 163.3
[M+CH3COO]- 260.092831 194.0
[M+Na-2H]- 222.053646 153.4
[M]+ 201.07843142 140.2
[M]- 201.07952858 140.2
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.