CID 165729371

N-nitroso phenylephrine

Structural Information

Molecular Formula
C9H12N2O3
SMILES
CN(C[C@@H](C1=CC(=CC=C1)O)O)N=O
InChI
InChI=1S/C9H12N2O3/c1-11(10-14)6-9(13)7-3-2-4-8(12)5-7/h2-5,9,12-13H,6H2,1H3/t9-/m0/s1
InChIKey
JKVBNSISJSOSBA-VIFPVBQESA-N
Compound name
N-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.0848 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09208 140.4
[M+Na]+ 219.07402 146.5
[M-H]- 195.07752 144.2
[M+NH4]+ 214.11862 158.9
[M+K]+ 235.04796 146.5
[M+H-H2O]+ 179.08206 133.7
[M+HCOO]- 241.08300 165.8
[M+CH3COO]- 255.09865 189.4
[M+Na-2H]- 217.05947 145.9
[M]+ 196.08425 141.4
[M]- 196.08535 141.4
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.