CID 85604

1h-indene-2-carboxamide

Structural Information

Molecular Formula
C10H9NO
SMILES
C1C2=CC=CC=C2C=C1C(=O)N
InChI
InChI=1S/C10H9NO/c11-10(12)9-5-7-3-1-2-4-8(7)6-9/h1-5H,6H2,(H2,11,12)
InChIKey
OAQQLPVORBNWBV-UHFFFAOYSA-N
Compound name
1H-indene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

67
Patents

159.06842 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.075696 131.4
[M+Na]+ 182.057638 139.8
[M-H]- 158.061144 135.9
[M+NH4]+ 177.102243 154.6
[M+K]+ 198.031578 137.0
[M+H-H2O]+ 142.065680 126.0
[M+HCOO]- 204.066621 156.2
[M+CH3COO]- 218.082271 179.0
[M+Na-2H]- 180.043086 137.3
[M]+ 159.06787142 130.0
[M]- 159.06896858 130.0
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