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

10
Patents

236.15248 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15976 156.8
[M+Na]+ 259.14170 161.6
[M-H]- 235.14520 161.5
[M+NH4]+ 254.18630 174.6
[M+K]+ 275.11564 161.6
[M+H-H2O]+ 219.14974 149.5
[M+HCOO]- 281.15068 181.2
[M+CH3COO]- 295.16633 201.4
[M+Na-2H]- 257.12715 159.4
[M]+ 236.15193 159.0
[M]- 236.15303 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