CID 154830

1-(methylnitrosamino)-2-pentanone

Structural Information

Molecular Formula
C6H12N2O2
SMILES
CCCC(=O)CN(C)N=O
InChI
InChI=1S/C6H12N2O2/c1-3-4-6(9)5-8(2)7-10/h3-5H2,1-2H3
InChIKey
REFUCZDQFDBMIC-UHFFFAOYSA-N
Compound name
N-methyl-N-(2-oxopentyl)nitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.08987 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.097146 129.7
[M+Na]+ 167.079088 136.1
[M-H]- 143.082594 132.9
[M+NH4]+ 162.123693 151.8
[M+K]+ 183.053028 138.3
[M+H-H2O]+ 127.087130 123.8
[M+HCOO]- 189.088071 157.4
[M+CH3COO]- 203.103721 186.0
[M+Na-2H]- 165.064536 135.7
[M]+ 144.08932142 133.4
[M]- 144.09041858 133.4
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.