CID 93298

1-nitrosopyrrolidin-2-one

Structural Information

Molecular Formula
C4H6N2O2
SMILES
C1CC(=O)N(C1)N=O
InChI
InChI=1S/C4H6N2O2/c7-4-2-1-3-6(4)5-8/h1-3H2
InChIKey
KLZYCEYOOVIITI-UHFFFAOYSA-N
Compound name
1-nitrosopyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

253
Patents

114.04293 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.05021 117.6
[M+Na]+ 137.03215 125.9
[M-H]- 113.03565 121.4
[M+NH4]+ 132.07675 140.9
[M+K]+ 153.00609 126.5
[M+H-H2O]+ 97.040190 111.5
[M+HCOO]- 159.04113 143.6
[M+CH3COO]- 173.05678 170.5
[M+Na-2H]- 135.01760 124.3
[M]+ 114.04238 116.9
[M]- 114.04348 116.9
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

patents stripe