CID 559857

N-formyl-n-methyl-3,4-methylenedioxyamphetamine

Structural Information

Molecular Formula
C12H15NO3
SMILES
CC(CC1=CC2=C(C=C1)OCO2)N(C)C=O
InChI
InChI=1S/C12H15NO3/c1-9(13(2)7-14)5-10-3-4-11-12(6-10)16-8-15-11/h3-4,6-7,9H,5,8H2,1-2H3
InChIKey
ZXCMMCGXHJITQT-UHFFFAOYSA-N
Compound name
N-[1-(1,3-benzodioxol-5-yl)propan-2-yl]-N-methylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.1052 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11248 149.8
[M+Na]+ 244.09442 156.4
[M-H]- 220.09792 156.7
[M+NH4]+ 239.13902 168.5
[M+K]+ 260.06836 157.9
[M+H-H2O]+ 204.10246 143.8
[M+HCOO]- 266.10340 171.9
[M+CH3COO]- 280.11905 193.8
[M+Na-2H]- 242.07987 155.4
[M]+ 221.10465 153.9
[M]- 221.10575 153.9
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.