CID 61723433

Methyl 2-{[4-(dimethylamino)phenyl]amino}propanoate

Structural Information

Molecular Formula
C12H18N2O2
SMILES
CC(C(=O)OC)NC1=CC=C(C=C1)N(C)C
InChI
InChI=1S/C12H18N2O2/c1-9(12(15)16-4)13-10-5-7-11(8-6-10)14(2)3/h5-9,13H,1-4H3
InChIKey
HMMJTFGQCMGPEW-UHFFFAOYSA-N
Compound name
methyl 2-[4-(dimethylamino)anilino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.13683 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14411 151.8
[M+Na]+ 245.12605 157.0
[M-H]- 221.12955 156.7
[M+NH4]+ 240.17065 170.2
[M+K]+ 261.09999 157.2
[M+H-H2O]+ 205.13409 144.7
[M+HCOO]- 267.13503 176.6
[M+CH3COO]- 281.15068 199.1
[M+Na-2H]- 243.11150 155.0
[M]+ 222.13628 153.7
[M]- 222.13738 153.7
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.