CID 104910

1-[methyl(nitroso)amino]propan-2-one

Structural Information

Molecular Formula
C4H8N2O2
SMILES
CC(=O)CN(C)N=O
InChI
InChI=1S/C4H8N2O2/c1-4(7)3-6(2)5-8/h3H2,1-2H3
InChIKey
CWULQTRBZMJZEG-UHFFFAOYSA-N
Compound name
N-methyl-N-(2-oxopropyl)nitrous amide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

17
References

8
Patents

116.05858 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.06586 120.3
[M+Na]+ 139.04780 127.5
[M-H]- 115.05130 123.8
[M+NH4]+ 134.09240 143.5
[M+K]+ 155.02174 130.2
[M+H-H2O]+ 99.055840 114.8
[M+HCOO]- 161.05678 148.6
[M+CH3COO]- 175.07243 180.0
[M+Na-2H]- 137.03325 127.4
[M]+ 116.05803 123.2
[M]- 116.05913 123.2
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