CID 25418

N-nitrosomethylethylamine

Structural Information

Molecular Formula
C3H8N2O
SMILES
CCN(C)N=O
InChI
InChI=1S/C3H8N2O/c1-3-5(2)4-6/h3H2,1-2H3
InChIKey
RTDCJKARQCRONF-UHFFFAOYSA-N
Compound name
N-ethyl-N-methylnitrous amide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

35
References

445
Patents

88.06366 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.070936 113.7
[M+Na]+ 111.05288 121.3
[M-H]- 87.056384 117.4
[M+NH4]+ 106.09748 138.3
[M+K]+ 127.02682 124.1
[M+H-H2O]+ 71.060920 108.6
[M+HCOO]- 133.06186 143.0
[M+CH3COO]- 147.07751 175.0
[M+Na-2H]- 109.03833 122.7
[M]+ 88.063111 116.2
[M]- 88.064209 116.2
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