CID 853411

61392-06-1

Structural Information

Molecular Formula
C7H10N3O
SMILES
C[N+]1=CC=CC(=C1)NC(=O)N
InChI
InChI=1S/C7H9N3O/c1-10-4-2-3-6(5-10)9-7(8)11/h2-5H,1H3,(H2-,8,9,11)/p+1
InChIKey
YSPGTMHTWXZZGV-UHFFFAOYSA-O
Compound name
(1-methylpyridin-1-ium-3-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

152.08238 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.08966 127.6
[M+Na]+ 175.07160 140.7
[M+NH4]+ 170.11620 136.4
[M+K]+ 191.04554 136.4
[M-H]- 151.07510 131.4
[M+Na-2H]- 173.05705 135.4
[M]+ 152.08183 130.6
[M]- 152.08293 130.6
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

patents stripe