CID 93929

Einecs 261-090-7

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CCN(CCO)C1=CC(=C(C=C1)N=O)C
InChI
InChI=1S/C11H16N2O2/c1-3-13(6-7-14)10-4-5-11(12-15)9(2)8-10/h4-5,8,14H,3,6-7H2,1-2H3
InChIKey
GORXOMQYBYURLM-UHFFFAOYSA-N
Compound name
2-(N-ethyl-3-methyl-4-nitrosoanilino)ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

208.12119 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.128466 145.7
[M+Na]+ 231.110408 152.7
[M-H]- 207.113914 151.0
[M+NH4]+ 226.155013 165.0
[M+K]+ 247.084348 152.1
[M+H-H2O]+ 191.118450 138.8
[M+HCOO]- 253.119391 172.8
[M+CH3COO]- 267.135041 196.1
[M+Na-2H]- 229.095856 151.2
[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

literature stripe

Patent stripe

patents stripe