CID 12684761

2-(n-nitroso-n-benzylamino)ethanol

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]+ 181.09715 136.8
[M+Na]+ 203.07909 142.7
[M-H]- 179.08259 141.6
[M+NH4]+ 198.12369 156.5
[M+K]+ 219.05303 142.5
[M+H-H2O]+ 163.08713 129.7
[M+HCOO]- 225.08807 164.5
[M+CH3COO]- 239.10372 187.7
[M+Na-2H]- 201.06454 144.8
[M]+ 180.08932 138.5
[M]- 180.09042 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.