CID 272042

98841-72-6

Structural Information

Molecular Formula
C11H13NO
SMILES
C1CC(C2=CC=CC=C2C1)C(=O)N
InChI
InChI=1S/C11H13NO/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10H,3,5,7H2,(H2,12,13)
InChIKey
YABTYLPBLUXORV-UHFFFAOYSA-N
Compound name
1,2,3,4-tetrahydronaphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

465
Patents

175.09972 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.106996 136.4
[M+Na]+ 198.088938 142.4
[M-H]- 174.092444 139.9
[M+NH4]+ 193.133543 156.9
[M+K]+ 214.062878 139.6
[M+H-H2O]+ 158.096980 130.4
[M+HCOO]- 220.097921 157.1
[M+CH3COO]- 234.113571 182.8
[M+Na-2H]- 196.074386 142.2
[M]+ 175.09917142 131.6
[M]- 175.10026858 131.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe