CID 54503076

Ns00116884

Structural Information

Molecular Formula
C7H8N2O2
SMILES
C1=CC=C(C=C1)N(CO)N=O
InChI
InChI=1S/C7H8N2O2/c10-6-9(8-11)7-4-2-1-3-5-7/h1-5,10H,6H2
InChIKey
YDUKDBWXYYKCDO-UHFFFAOYSA-N
Compound name
N-(hydroxymethyl)-N-phenylnitrous amide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

152.05858 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.065856 127.4
[M+Na]+ 175.047798 134.3
[M-H]- 151.051304 132.7
[M+NH4]+ 170.092403 148.3
[M+K]+ 191.021738 134.6
[M+H-H2O]+ 135.055840 120.8
[M+HCOO]- 197.056781 155.9
[M+CH3COO]- 211.072431 181.6
[M+Na-2H]- 173.033246 136.6
[M]+ 152.05803142 128.5
[M]- 152.05912858 128.5
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

No patent data available for this compound.