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

1264
Patents

100.06366 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 101.070936 116.5
[M+Na]+ 123.052878 123.6
[M-H]- 99.056384 119.8
[M+NH4]+ 118.097483 140.2
[M+K]+ 139.026818 124.5
[M+H-H2O]+ 83.060920 110.1
[M+HCOO]- 145.061861 142.1
[M+CH3COO]- 159.077511 168.3
[M+Na-2H]- 121.038326 123.8
[M]+ 100.06311142 114.7
[M]- 100.06420858 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

literature stripe

Patent stripe

patents stripe