CID 25371

N-nitroso-3-pyrroline

Structural Information

Molecular Formula
C4H6N2O
SMILES
C1C=CCN1N=O
InChI
InChI=1S/C4H6N2O/c7-5-6-3-1-2-4-6/h1-2H,3-4H2
InChIKey
OKFHTQFXGQXDEX-UHFFFAOYSA-N
Compound name
1-nitroso-2,5-dihydropyrrole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2
Patents

98.04801 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.055286 114.3
[M+Na]+ 121.03723 122.5
[M-H]- 97.040734 118.1
[M+NH4]+ 116.08183 138.2
[M+K]+ 137.01117 123.1
[M+H-H2O]+ 81.045270 108.0
[M+HCOO]- 143.04621 141.4
[M+CH3COO]- 157.06186 167.9
[M+Na-2H]- 119.02268 122.7
[M]+ 98.047461 114.0
[M]- 98.048559 114.0
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