CID 18670192

N-[(1h-imidazol-2-yl)methyl]acetamide

Structural Information

Molecular Formula
C6H9N3O
SMILES
CC(=O)NCC1=NC=CN1
InChI
InChI=1S/C6H9N3O/c1-5(10)9-4-6-7-2-3-8-6/h2-3H,4H2,1H3,(H,7,8)(H,9,10)
InChIKey
SXKAQLCLHGQXHB-UHFFFAOYSA-N
Compound name
N-(1H-imidazol-2-ylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

139.07455 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.081826 128.2
[M+Na]+ 162.063768 135.5
[M-H]- 138.067274 127.9
[M+NH4]+ 157.108373 147.8
[M+K]+ 178.037708 133.9
[M+H-H2O]+ 122.071810 121.1
[M+HCOO]- 184.072751 150.8
[M+CH3COO]- 198.088401 171.2
[M+Na-2H]- 160.049216 134.2
[M]+ 139.07400142 126.1
[M]- 139.07509858 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