CID 14223

N-nitrosodiethanolamine

Structural Information

Molecular Formula
C4H10N2O3
SMILES
C(CO)N(CCO)N=O
InChI
InChI=1S/C4H10N2O3/c7-3-1-6(5-9)2-4-8/h7-8H,1-4H2
InChIKey
YFCDLVPYFMHRQZ-UHFFFAOYSA-N
Compound name
N,N-bis(2-hydroxyethyl)nitrous amide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

125
References

614
Patents

134.06914 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.07642 124.8
[M+Na]+ 157.05836 131.0
[M-H]- 133.06186 125.3
[M+NH4]+ 152.10296 145.9
[M+K]+ 173.03230 132.4
[M+H-H2O]+ 117.06640 119.3
[M+HCOO]- 179.06734 151.2
[M+CH3COO]- 193.08299 176.8
[M+Na-2H]- 155.04381 132.1
[M]+ 134.06859 126.6
[M]- 134.06969 126.6
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.