CID 33646

26921-68-6

Structural Information

Molecular Formula
C3H8N2O2
SMILES
CN(CCO)N=O
InChI
InChI=1S/C3H8N2O2/c1-5(4-7)2-3-6/h6H,2-3H2,1H3
InChIKey
GFOKXZBYAVRDMO-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-N-methylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

14
Patents

104.05858 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 105.065856 117.2
[M+Na]+ 127.047798 124.3
[M-H]- 103.051304 119.3
[M+NH4]+ 122.092403 140.3
[M+K]+ 143.021738 126.5
[M+H-H2O]+ 87.055840 111.9
[M+HCOO]- 149.056781 145.1
[M+CH3COO]- 163.072431 174.3
[M+Na-2H]- 125.033246 125.5
[M]+ 104.05803142 119.1
[M]- 104.05912858 119.1
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