CID 28638

N-nitrosoephedrine

Structural Information

Molecular Formula
C10H14N2O2
SMILES
CC(C(C1=CC=CC=C1)O)N(C)N=O
InChI
InChI=1S/C10H14N2O2/c1-8(12(2)11-14)10(13)9-6-4-3-5-7-9/h3-8,10,13H,1-2H3
InChIKey
ZVTOLKAVCZXHFM-UHFFFAOYSA-N
Compound name
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methylnitrous amide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

2
Patents

194.10553 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.11281 143.0
[M+Na]+ 217.09475 152.7
[M+NH4]+ 212.13935 150.5
[M+K]+ 233.06869 148.3
[M-H]- 193.09825 145.4
[M+Na-2H]- 215.08020 149.2
[M]+ 194.10498 144.7
[M]- 194.10608 144.7
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