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]+ 206.08118 139.8
[M+Na]+ 228.06312 148.9
[M-H]- 204.06662 149.5
[M+NH4]+ 223.10772 153.8
[M+K]+ 244.03706 148.3
[M+H-H2O]+ 188.07116 133.8
[M+HCOO]- 250.07210 161.7
[M+CH3COO]- 264.08775 153.4
[M+Na-2H]- 226.04857 147.3
[M]+ 205.07335 143.6
[M]- 205.07445 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.