CID 132989246

2749504-06-9

Structural Information

Molecular Formula
C12H15NO3
SMILES
CCNC(C)C(=O)C1=C2C(=CC=C1)OCO2
InChI
InChI=1S/C12H15NO3/c1-3-13-8(2)11(14)9-5-4-6-10-12(9)16-7-15-10/h4-6,8,13H,3,7H2,1-2H3
InChIKey
QJADLMNXVWSLDV-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-4-yl)-2-(ethylamino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.1052 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.112476 150.2
[M+Na]+ 244.094418 156.4
[M-H]- 220.097924 155.7
[M+NH4]+ 239.139023 168.2
[M+K]+ 260.068358 157.0
[M+H-H2O]+ 204.102460 144.4
[M+HCOO]- 266.103401 170.8
[M+CH3COO]- 280.119051 191.3
[M+Na-2H]- 242.079866 155.4
[M]+ 221.10465142 152.4
[M]- 221.10574858 152.4
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.