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]+ 222.112476 149.8
[M+Na]+ 244.094418 156.4
[M-H]- 220.097924 156.7
[M+NH4]+ 239.139023 168.5
[M+K]+ 260.068358 157.9
[M+H-H2O]+ 204.102460 143.8
[M+HCOO]- 266.103401 171.9
[M+CH3COO]- 280.119051 193.8
[M+Na-2H]- 242.079866 155.4
[M]+ 221.10465142 153.9
[M]- 221.10574858 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.