CID 13392

1-carbamoyl-3-methylpyrazole

Structural Information

Molecular Formula
C5H7N3O
SMILES
CC1=NN(C=C1)NC=O
InChI
InChI=1S/C5H7N3O/c1-5-2-3-8(7-5)6-4-9/h2-4H,1H3,(H,6,9)
InChIKey
AJDAWQUQDDHYHH-UHFFFAOYSA-N
Compound name
N-(3-methylpyrazol-1-yl)formamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

46
Patents

125.058914 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.06619 121.8
[M+Na]+ 148.04813 131.2
[M-H]- 124.05164 123.3
[M+NH4]+ 143.09274 143.0
[M+K]+ 164.02207 130.2
[M+H-H2O]+ 108.05617 114.9
[M+HCOO]- 170.05712 147.3
[M+CH3COO]- 184.07276 171.7
[M+Na-2H]- 146.03358 129.4
[M]+ 125.05837 122.3
[M]- 125.05946 122.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe