CID 96005

4423-74-9

Structural Information

Molecular Formula
C11H9NO
SMILES
C1=CC=C2C=C(C=CC2=C1)NC=O
InChI
InChI=1S/C11H9NO/c13-8-12-11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,12,13)
InChIKey
AULBLBYDAHRCLF-UHFFFAOYSA-N
Compound name
N-naphthalen-2-ylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

940
Patents

171.06842 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.075696 132.2
[M+Na]+ 194.057638 140.6
[M-H]- 170.061144 137.0
[M+NH4]+ 189.102243 153.4
[M+K]+ 210.031578 137.2
[M+H-H2O]+ 154.065680 126.1
[M+HCOO]- 216.066621 157.5
[M+CH3COO]- 230.082271 181.9
[M+Na-2H]- 192.043086 142.4
[M]+ 171.06787142 132.0
[M]- 171.06896858 132.0
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