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]+ 145.09715 129.7
[M+Na]+ 167.07909 136.1
[M-H]- 143.08259 132.9
[M+NH4]+ 162.12369 151.8
[M+K]+ 183.05303 138.3
[M+H-H2O]+ 127.08713 123.8
[M+HCOO]- 189.08807 157.4
[M+CH3COO]- 203.10372 186.0
[M+Na-2H]- 165.06454 135.7
[M]+ 144.08932 133.4
[M]- 144.09042 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.