CID 3039634

50902-01-7

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CC1C(CC(=N1)N)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C13H18N2O2/c1-8-10(7-13(14)15-8)9-4-5-11(16-2)12(6-9)17-3/h4-6,8,10H,7H2,1-3H3,(H2,14,15)
InChIKey
KLQATGPQCXQLJQ-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)-2-methyl-3,4-dihydro-2H-pyrrol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 152.8
[M+Na]+ 257.126048 161.5
[M-H]- 233.129554 158.5
[M+NH4]+ 252.170653 171.2
[M+K]+ 273.099988 158.7
[M+H-H2O]+ 217.134090 145.5
[M+HCOO]- 279.135031 176.4
[M+CH3COO]- 293.150681 194.8
[M+Na-2H]- 255.111496 154.5
[M]+ 234.13628142 154.1
[M]- 234.13737858 154.1
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.