CID 82594015

2839156-97-5

Structural Information

Molecular Formula
C6H9N3O
SMILES
CN1C=C(N=C1)C(=O)CN
InChI
InChI=1S/C6H9N3O/c1-9-3-5(8-4-9)6(10)2-7/h3-4H,2,7H2,1H3
InChIKey
CXCQERHMSICWEN-UHFFFAOYSA-N
Compound name
2-amino-1-(1-methylimidazol-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

139.07455 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.08183 127.4
[M+Na]+ 162.06377 136.1
[M-H]- 138.06727 128.4
[M+NH4]+ 157.10837 147.8
[M+K]+ 178.03771 135.0
[M+H-H2O]+ 122.07181 120.5
[M+HCOO]- 184.07275 151.0
[M+CH3COO]- 198.08840 174.9
[M+Na-2H]- 160.04922 132.2
[M]+ 139.07400 126.7
[M]- 139.07510 126.7
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

No patent data available for this compound.