CID 54592952

N-[1-(n'-hydroxycarbamimidoyl)-1-methylethyl]acetamide

Structural Information

Molecular Formula
C6H13N3O2
SMILES
CC(=O)NC(C)(C)/C(=N/O)/N
InChI
InChI=1S/C6H13N3O2/c1-4(10)8-6(2,3)5(7)9-11/h11H,1-3H3,(H2,7,9)(H,8,10)
InChIKey
QFKDBLSOINTUPV-UHFFFAOYSA-N
Compound name
N-[(1Z)-1-amino-1-hydroxyimino-2-methylpropan-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.10077 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.10805 134.8
[M+Na]+ 182.08999 140.1
[M-H]- 158.09349 134.9
[M+NH4]+ 177.13459 154.4
[M+K]+ 198.06393 140.6
[M+H-H2O]+ 142.09803 129.5
[M+HCOO]- 204.09897 158.3
[M+CH3COO]- 218.11462 184.2
[M+Na-2H]- 180.07544 139.6
[M]+ 159.10022 132.0
[M]- 159.10132 132.0
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.