CID 21118672

Schembl30841535

Structural Information

Molecular Formula
C8H16N2O2
SMILES
CCN(C(C)(C)CC(=O)C)N=O
InChI
InChI=1S/C8H16N2O2/c1-5-10(9-12)8(3,4)6-7(2)11/h5-6H2,1-4H3
InChIKey
USFXMVDSQZKGGP-UHFFFAOYSA-N
Compound name
N-ethyl-N-(2-methyl-4-oxopentan-2-yl)nitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

172.12119 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.128466 138.1
[M+Na]+ 195.110408 144.1
[M-H]- 171.113914 141.3
[M+NH4]+ 190.155013 159.3
[M+K]+ 211.084348 146.2
[M+H-H2O]+ 155.118450 132.6
[M+HCOO]- 217.119391 163.6
[M+CH3COO]- 231.135041 192.4
[M+Na-2H]- 193.095856 143.9
[M]+ 172.12064142 142.1
[M]- 172.12173858 142.1
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