CID 149201

N-nitrosoethanamine

Structural Information

Molecular Formula
C2H6N2O
SMILES
CCNN=O
InChI
InChI=1S/C2H6N2O/c1-2-3-4-5/h2H2,1H3,(H,3,5)
InChIKey
SCSKXSBERKMMJG-UHFFFAOYSA-N
Compound name
N-ethylnitrous amide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

164
Patents

74.04801 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 75.055286 109.0
[M+Na]+ 97.037228 116.8
[M-H]- 73.040734 111.3
[M+NH4]+ 92.081833 133.4
[M+K]+ 113.01117 118.4
[M+H-H2O]+ 57.045270 104.2
[M+HCOO]- 119.04621 138.0
[M+CH3COO]- 133.06186 168.4
[M+Na-2H]- 95.022676 119.2
[M]+ 74.047461 109.8
[M]- 74.048559 109.8
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