CID 13227714

(pyridin-4-ylmethyl)urea

Structural Information

Molecular Formula
C7H9N3O
SMILES
C1=CN=CC=C1CNC(=O)N
InChI
InChI=1S/C7H9N3O/c8-7(11)10-5-6-1-3-9-4-2-6/h1-4H,5H2,(H3,8,10,11)
InChIKey
UTZZANSZTMOPAI-UHFFFAOYSA-N
Compound name
pyridin-4-ylmethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

151.07455 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.08183 129.9
[M+Na]+ 174.06377 136.5
[M-H]- 150.06727 131.8
[M+NH4]+ 169.10837 148.7
[M+K]+ 190.03771 134.9
[M+H-H2O]+ 134.07181 122.9
[M+HCOO]- 196.07275 154.8
[M+CH3COO]- 210.08840 178.3
[M+Na-2H]- 172.04922 137.6
[M]+ 151.07400 127.1
[M]- 151.07510 127.1
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

patents stripe