CID 5483054

Chembl2115096

Structural Information

Molecular Formula
C10H14N4O3
SMILES
CC1(CC(=NO1)CNC(=O)/C(=N\OC)/C#N)C
InChI
InChI=1S/C10H14N4O3/c1-10(2)4-7(13-17-10)6-12-9(15)8(5-11)14-16-3/h4,6H2,1-3H3,(H,12,15)/b14-8-
InChIKey
ISMUILFZUHWXQF-ZSOIEALJSA-N
Compound name
(1Z)-2-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)methylamino]-N-methoxy-2-oxoethanimidoyl cyanide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

238.1066 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11388 150.4
[M+Na]+ 261.09582 158.4
[M-H]- 237.09932 153.6
[M+NH4]+ 256.14042 166.8
[M+K]+ 277.06976 158.6
[M+H-H2O]+ 221.10386 136.7
[M+HCOO]- 283.10480 170.3
[M+CH3COO]- 297.12045 207.3
[M+Na-2H]- 259.08127 154.8
[M]+ 238.10605 147.8
[M]- 238.10715 147.8
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.