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]+ 153.089656 129.3
[M+Na]+ 175.071598 136.8
[M-H]- 151.075104 131.9
[M+NH4]+ 170.116203 148.1
[M+K]+ 191.045538 129.7
[M+H-H2O]+ 135.079640 125.4
[M+HCOO]- 197.080581 153.9
[M+CH3COO]- 211.096231 172.3
[M+Na-2H]- 173.057046 138.7
[M]+ 152.08183142 125.6
[M]- 152.08292858 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