CID 17164245

N-(1h-indazol-5-yl)acetamide

Structural Information

Molecular Formula
C9H9N3O
SMILES
CC(=O)NC1=CC2=C(C=C1)NN=C2
InChI
InChI=1S/C9H9N3O/c1-6(13)11-8-2-3-9-7(4-8)5-10-12-9/h2-5H,1H3,(H,10,12)(H,11,13)
InChIKey
XGVHKKOLBJMLLQ-UHFFFAOYSA-N
Compound name
N-(1H-indazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

43
Patents

175.07455 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.08183 134.5
[M+Na]+ 198.06377 144.1
[M-H]- 174.06727 135.8
[M+NH4]+ 193.10837 154.1
[M+K]+ 214.03771 140.5
[M+H-H2O]+ 158.07181 127.5
[M+HCOO]- 220.07275 157.6
[M+CH3COO]- 234.08840 178.6
[M+Na-2H]- 196.04922 142.5
[M]+ 175.07400 134.3
[M]- 175.07510 134.3
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