CID 13450481

N,n-dimethyl-1h-pyrazole-4-carboxamide

Structural Information

Molecular Formula
C6H9N3O
SMILES
CN(C)C(=O)C1=CNN=C1
InChI
InChI=1S/C6H9N3O/c1-9(2)6(10)5-3-7-8-4-5/h3-4H,1-2H3,(H,7,8)
InChIKey
XHOFWFVNVHZGMB-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1H-pyrazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

139.07455 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 128.0
[M+Na]+ 162.06377 135.6
[M-H]- 138.06727 129.3
[M+NH4]+ 157.10837 148.3
[M+K]+ 178.03771 135.3
[M+H-H2O]+ 122.07181 120.8
[M+HCOO]- 184.07275 151.2
[M+CH3COO]- 198.08840 174.7
[M+Na-2H]- 160.04922 133.4
[M]+ 139.07400 127.2
[M]- 139.07510 127.2
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