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

77
Patents

151.07455 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.081826 129.9
[M+Na]+ 174.063768 136.5
[M-H]- 150.067274 131.8
[M+NH4]+ 169.108373 148.7
[M+K]+ 190.037708 134.9
[M+H-H2O]+ 134.071810 122.9
[M+HCOO]- 196.072751 154.8
[M+CH3COO]- 210.088401 178.3
[M+Na-2H]- 172.049216 137.6
[M]+ 151.07400142 127.1
[M]- 151.07509858 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