CID 28737964

1-[4-(aminomethyl)phenyl]-3-(propan-2-yl)urea

Structural Information

Molecular Formula
C11H17N3O
SMILES
CC(C)NC(=O)NC1=CC=C(C=C1)CN
InChI
InChI=1S/C11H17N3O/c1-8(2)13-11(15)14-10-5-3-9(7-12)4-6-10/h3-6,8H,7,12H2,1-2H3,(H2,13,14,15)
InChIKey
ZNJVGMFALNZTSB-UHFFFAOYSA-N
Compound name
1-[4-(aminomethyl)phenyl]-3-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.13716 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.14444 148.6
[M+Na]+ 230.12638 153.4
[M-H]- 206.12988 151.7
[M+NH4]+ 225.17098 166.4
[M+K]+ 246.10032 151.6
[M+H-H2O]+ 190.13442 141.6
[M+HCOO]- 252.13536 173.4
[M+CH3COO]- 266.15101 194.4
[M+Na-2H]- 228.11183 152.2
[M]+ 207.13661 145.6
[M]- 207.13771 145.6
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.