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]+ 202.08626 147.6
[M+Na]+ 224.06820 157.7
[M-H]- 200.07170 150.4
[M+NH4]+ 219.11280 166.9
[M+K]+ 240.04214 151.6
[M+H-H2O]+ 184.07624 136.2
[M+HCOO]- 246.07718 163.3
[M+CH3COO]- 260.09283 194.0
[M+Na-2H]- 222.05365 153.4
[M]+ 201.07843 140.2
[M]- 201.07953 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.