CID 92297

N-nitrosophenmetrazine

Structural Information

Molecular Formula
C11H14N2O2
SMILES
CC1C(OCCN1N=O)C2=CC=CC=C2
InChI
InChI=1S/C11H14N2O2/c1-9-11(10-5-3-2-4-6-10)15-8-7-13(9)12-14/h2-6,9,11H,7-8H2,1H3
InChIKey
AUJFBAMBAVQREK-UHFFFAOYSA-N
Compound name
3-methyl-4-nitroso-2-phenylmorpholine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

206.10553 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11281 144.4
[M+Na]+ 229.09475 151.0
[M-H]- 205.09825 151.4
[M+NH4]+ 224.13935 160.9
[M+K]+ 245.06869 150.5
[M+H-H2O]+ 189.10279 136.1
[M+HCOO]- 251.10373 166.4
[M+CH3COO]- 265.11938 189.6
[M+Na-2H]- 227.08020 151.3
[M]+ 206.10498 143.3
[M]- 206.10608 143.3
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