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]+ 180.113146 139.6
[M+Na]+ 202.095088 145.2
[M-H]- 178.098594 142.5
[M+NH4]+ 197.139693 158.1
[M+K]+ 218.069028 143.5
[M+H-H2O]+ 162.103130 133.0
[M+HCOO]- 224.104071 164.3
[M+CH3COO]- 238.119721 188.4
[M+Na-2H]- 200.080536 143.2
[M]+ 179.10532142 134.9
[M]- 179.10641858 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.