CID 119111

Hydroxymethylmethylnitrosamine

Structural Information

Molecular Formula
C2H6N2O2
SMILES
CN(CO)N=O
InChI
InChI=1S/C2H6N2O2/c1-4(2-5)3-6/h5H,2H2,1H3
InChIKey
CDKXZKUBCGJTDG-UHFFFAOYSA-N
Compound name
N-(hydroxymethyl)-N-methylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

10
Patents

90.04293 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 91.050206 112.5
[M+Na]+ 113.03215 120.0
[M-H]- 89.035654 114.8
[M+NH4]+ 108.07675 136.2
[M+K]+ 129.00609 122.5
[M+H-H2O]+ 73.040190 107.5
[M+HCOO]- 135.04113 140.8
[M+CH3COO]- 149.05678 171.2
[M+Na-2H]- 111.01760 121.4
[M]+ 90.042381 114.1
[M]- 90.043479 114.1
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