CID 155821901

2276410-60-5

Structural Information

Molecular Formula
C11H17N3O
SMILES
C[C@@H](C1=CC=C(C=C1)N)NC(=O)N(C)C
InChI
InChI=1S/C11H17N3O/c1-8(13-11(15)14(2)3)9-4-6-10(12)7-5-9/h4-8H,12H2,1-3H3,(H,13,15)/t8-/m0/s1
InChIKey
FSJYRIMHHARDDT-QMMMGPOBSA-N
Compound name
3-[(1S)-1-(4-aminophenyl)ethyl]-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.13716 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.14444 149.1
[M+Na]+ 230.12638 154.1
[M-H]- 206.12988 153.7
[M+NH4]+ 225.17098 167.6
[M+K]+ 246.10032 153.7
[M+H-H2O]+ 190.13442 142.0
[M+HCOO]- 252.13536 174.4
[M+CH3COO]- 266.15101 197.8
[M+Na-2H]- 228.11183 151.9
[M]+ 207.13661 147.4
[M]- 207.13771 147.4
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.