CID 46093

Ar-28

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

1
References

68
Patents

222.13683 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.14411 151.9
[M+Na]+ 245.12605 161.7
[M+NH4]+ 240.17065 159.2
[M+K]+ 261.09999 157.0
[M-H]- 221.12955 154.4
[M+Na-2H]- 243.11150 157.5
[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

literature stripe

Patent stripe

patents stripe