CID 110670

Einecs 226-940-3

Structural Information

Molecular Formula
C8H16N2O2
SMILES
CCC(=O)C(C)CN(CC)N=O
InChI
InChI=1S/C8H16N2O2/c1-4-8(11)7(3)6-10(5-2)9-12/h7H,4-6H2,1-3H3
InChIKey
JHVHAKCWFZMCRS-UHFFFAOYSA-N
Compound name
N-ethyl-N-(2-methyl-3-oxopentyl)nitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.12119 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.12847 139.6
[M+Na]+ 195.11041 144.9
[M-H]- 171.11391 142.5
[M+NH4]+ 190.15501 160.5
[M+K]+ 211.08435 147.0
[M+H-H2O]+ 155.11845 133.4
[M+HCOO]- 217.11939 165.6
[M+CH3COO]- 231.13504 193.0
[M+Na-2H]- 193.09586 143.2
[M]+ 172.12064 143.4
[M]- 172.12174 143.4
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.