CID 12684761

77817-40-4

Structural Information

Molecular Formula
C9H12N2O2
SMILES
C1=CC=C(C=C1)CN(CCO)N=O
InChI
InChI=1S/C9H12N2O2/c12-7-6-11(10-13)8-9-4-2-1-3-5-9/h1-5,12H,6-8H2
InChIKey
YGPDPBGRXOGBLV-UHFFFAOYSA-N
Compound name
N-benzyl-N-(2-hydroxyethyl)nitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.08987 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.097146 136.8
[M+Na]+ 203.079088 142.7
[M-H]- 179.082594 141.6
[M+NH4]+ 198.123693 156.5
[M+K]+ 219.053028 142.5
[M+H-H2O]+ 163.087130 129.7
[M+HCOO]- 225.088071 164.5
[M+CH3COO]- 239.103721 187.7
[M+Na-2H]- 201.064536 144.8
[M]+ 180.08932142 138.5
[M]- 180.09041858 138.5
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.