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
7
Annotation Hits

234
References

1188
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 118.4
[M+Na]+ 123.05288 128.1
[M+NH4]+ 118.09748 127.2
[M+K]+ 139.02682 124.5
[M-H]- 99.056384 119.8
[M+Na-2H]- 121.03833 123.9
[M]+ 100.06311 119.8
[M]- 100.06421 119.8
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