CID 12572469

N-(1-benzyl-1h-pyrazol-3-yl)acetamide

Structural Information

Molecular Formula
C12H13N3O
SMILES
CC(=O)NC1=NN(C=C1)CC2=CC=CC=C2
InChI
InChI=1S/C12H13N3O/c1-10(16)13-12-7-8-15(14-12)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,13,14,16)
InChIKey
XASMBFUCDPRHTK-UHFFFAOYSA-N
Compound name
N-(1-benzylpyrazol-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

11
Patents

215.10587 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.113146 147.3
[M+Na]+ 238.095088 154.8
[M-H]- 214.098594 151.6
[M+NH4]+ 233.139693 164.5
[M+K]+ 254.069028 151.7
[M+H-H2O]+ 198.103130 138.7
[M+HCOO]- 260.104071 171.1
[M+CH3COO]- 274.119721 188.6
[M+Na-2H]- 236.080536 152.5
[M]+ 215.10532142 147.2
[M]- 215.10641858 147.2
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