CID 13591

1-nitrosopyrrolidine

Structural Information

Molecular Formula
C4H8N2O
SMILES
C1CCN(C1)N=O
InChI
InChI=1S/C4H8N2O/c7-5-6-3-1-2-4-6/h1-4H2
InChIKey
WNYADZVDBIBLJJ-UHFFFAOYSA-N
Compound name
1-nitrosopyrrolidine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

234
References

1254
Patents

100.06366 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.07094 116.5
[M+Na]+ 123.05288 123.6
[M-H]- 99.056384 119.8
[M+NH4]+ 118.09748 140.2
[M+K]+ 139.02682 124.5
[M+H-H2O]+ 83.060920 110.1
[M+HCOO]- 145.06186 142.1
[M+CH3COO]- 159.07751 168.3
[M+Na-2H]- 121.03833 123.8
[M]+ 100.06311 114.7
[M]- 100.06421 114.7
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.