CID 42604976

923035-05-6

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CCN(C)C(=O)OC1=CC=CC(=C1)[C@H](C)NC
InChI
InChI=1S/C13H20N2O2/c1-5-15(4)13(16)17-12-8-6-7-11(9-12)10(2)14-3/h6-10,14H,5H2,1-4H3/t10-/m0/s1
InChIKey
DKTHTUMLVSBQTJ-JTQLQIEISA-N
Compound name
[3-[(1S)-1-(methylamino)ethyl]phenyl] N-ethyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

236.15248 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.159756 156.8
[M+Na]+ 259.141698 161.6
[M-H]- 235.145204 161.5
[M+NH4]+ 254.186303 174.6
[M+K]+ 275.115638 161.6
[M+H-H2O]+ 219.149740 149.5
[M+HCOO]- 281.150681 181.2
[M+CH3COO]- 295.166331 201.4
[M+Na-2H]- 257.127146 159.4
[M]+ 236.15193142 159.0
[M]- 236.15302858 159.0
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

patents stripe