CID 60756752

N-[(1h-pyrazol-4-yl)methyl]acetamide

Structural Information

Molecular Formula
C6H9N3O
SMILES
CC(=O)NCC1=CNN=C1
InChI
InChI=1S/C6H9N3O/c1-5(10)7-2-6-3-8-9-4-6/h3-4H,2H2,1H3,(H,7,10)(H,8,9)
InChIKey
VFAFDDVJGKOBTH-UHFFFAOYSA-N
Compound name
N-(1H-pyrazol-4-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

139.07455 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 128.2
[M+Na]+ 162.06377 135.5
[M-H]- 138.06727 127.9
[M+NH4]+ 157.10837 147.8
[M+K]+ 178.03771 133.9
[M+H-H2O]+ 122.07181 121.1
[M+HCOO]- 184.07275 150.8
[M+CH3COO]- 198.08840 171.2
[M+Na-2H]- 160.04922 134.2
[M]+ 139.07400 126.1
[M]- 139.07510 126.1
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