CID 22637

5-diethylamino-2-nitroso-4-methylphenol

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CCN(CC)C1=CC(=C(C=C1C)N=O)O
InChI
InChI=1S/C11H16N2O2/c1-4-13(5-2)10-7-11(14)9(12-15)6-8(10)3/h6-7,14H,4-5H2,1-3H3
InChIKey
MNDVZPIGIFDSFC-UHFFFAOYSA-N
Compound name
5-(diethylamino)-4-methyl-2-nitrosophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

208.12119 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.128466 145.3
[M+Na]+ 231.110408 153.3
[M-H]- 207.113914 151.0
[M+NH4]+ 226.155013 165.0
[M+K]+ 247.084348 152.7
[M+H-H2O]+ 191.118450 138.7
[M+HCOO]- 253.119391 172.4
[M+CH3COO]- 267.135041 197.3
[M+Na-2H]- 229.095856 150.2
[M]+ 208.12064142 149.0
[M]- 208.12173858 149.0
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

patents stripe