CID 75245

Naphthalene-2-carboxamide

Structural Information

Molecular Formula
C11H9NO
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)N
InChI
InChI=1S/C11H9NO/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H2,12,13)
InChIKey
JVXXKQIRGQDWOJ-UHFFFAOYSA-N
Compound name
naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

39
References

3161
Patents

171.06842 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.075696 133.5
[M+Na]+ 194.057638 141.6
[M-H]- 170.061144 137.8
[M+NH4]+ 189.102243 154.3
[M+K]+ 210.031578 138.4
[M+H-H2O]+ 154.065680 127.5
[M+HCOO]- 216.066621 157.2
[M+CH3COO]- 230.082271 182.1
[M+Na-2H]- 192.043086 141.4
[M]+ 171.06787142 131.7
[M]- 171.06896858 131.7
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