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

691
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

literature stripe

Patent stripe

patents stripe