CID 16795728

[4-(1-aminoethyl)phenyl]urea

Structural Information

Molecular Formula
C9H13N3O
SMILES
CC(C1=CC=C(C=C1)NC(=O)N)N
InChI
InChI=1S/C9H13N3O/c1-6(10)7-2-4-8(5-3-7)12-9(11)13/h2-6H,10H2,1H3,(H3,11,12,13)
InChIKey
JAKQIIOIZBBZSL-UHFFFAOYSA-N
Compound name
[4-(1-aminoethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.10587 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11315 139.6
[M+Na]+ 202.09509 145.2
[M-H]- 178.09859 142.5
[M+NH4]+ 197.13969 158.1
[M+K]+ 218.06903 143.5
[M+H-H2O]+ 162.10313 133.0
[M+HCOO]- 224.10407 164.3
[M+CH3COO]- 238.11972 188.4
[M+Na-2H]- 200.08054 143.2
[M]+ 179.10532 134.9
[M]- 179.10642 134.9
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.