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 129.3
[M+Na]+ 175.07160 136.8
[M-H]- 151.07510 131.9
[M+NH4]+ 170.11620 148.1
[M+K]+ 191.04554 129.7
[M+H-H2O]+ 135.07964 125.4
[M+HCOO]- 197.08058 153.9
[M+CH3COO]- 211.09623 172.3
[M+Na-2H]- 173.05705 138.7
[M]+ 152.08183 125.6
[M]- 152.08293 125.6
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