CID 7363982

2-(n'-hydroxycarbamimidoyl)-n-(2-methylphenyl)acetamide

Structural Information

Molecular Formula
C10H13N3O2
SMILES
CC1=CC=CC=C1NC(=O)C/C(=N/O)/N
InChI
InChI=1S/C10H13N3O2/c1-7-4-2-3-5-8(7)12-10(14)6-9(11)13-15/h2-5,15H,6H2,1H3,(H2,11,13)(H,12,14)
InChIKey
IVZFGVGESLEMIQ-UHFFFAOYSA-N
Compound name
(3Z)-3-amino-3-hydroxyimino-N-(2-methylphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

207.10077 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.108046 145.6
[M+Na]+ 230.089988 151.0
[M-H]- 206.093494 148.9
[M+NH4]+ 225.134593 163.2
[M+K]+ 246.063928 149.3
[M+H-H2O]+ 190.098030 138.6
[M+HCOO]- 252.098971 171.1
[M+CH3COO]- 266.114621 192.7
[M+Na-2H]- 228.075436 149.8
[M]+ 207.10022142 142.9
[M]- 207.10131858 142.9
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