CID 4616833

N-cyclopropyl-1,3-dioxaindane-5-carboxamide

Structural Information

Molecular Formula
C11H11NO3
SMILES
C1CC1NC(=O)C2=CC3=C(C=C2)OCO3
InChI
InChI=1S/C11H11NO3/c13-11(12-8-2-3-8)7-1-4-9-10(5-7)15-6-14-9/h1,4-5,8H,2-3,6H2,(H,12,13)
InChIKey
OUGQMSXIPFSZBI-UHFFFAOYSA-N
Compound name
N-cyclopropyl-1,3-benzodioxole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.0739 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.081176 139.8
[M+Na]+ 228.063118 148.9
[M-H]- 204.066624 149.5
[M+NH4]+ 223.107723 153.8
[M+K]+ 244.037058 148.3
[M+H-H2O]+ 188.071160 133.8
[M+HCOO]- 250.072101 161.7
[M+CH3COO]- 264.087751 153.4
[M+Na-2H]- 226.048566 147.3
[M]+ 205.07335142 143.6
[M]- 205.07444858 143.6
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

No patent data available for this compound.