CID 151404

Ethanone, 2-(1h-imidazol-1-yl)-1-(6-methyl-2-naphthalenyl)-, monohydrochloride

Structural Information

Molecular Formula
C3H3NO
SMILES
C(C=O)C#N
InChI
InChI=1S/C3H3NO/c4-2-1-3-5/h3H,1H2
InChIKey
ZMMOYIXZGHJMNI-UHFFFAOYSA-N
Compound name
3-oxopropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

2766
Patents

69.02146 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 70.028736 107.1
[M+Na]+ 92.010678 117.7
[M-H]- 68.014184 108.6
[M+NH4]+ 87.055283 129.4
[M+K]+ 107.98462 117.8
[M+H-H2O]+ 52.018720 96.9
[M+HCOO]- 114.01966 128.9
[M+CH3COO]- 128.03531 174.8
[M+Na-2H]- 89.996126 115.9
[M]+ 69.020911 103.2
[M]- 69.022009 103.2
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