CID 592762

2,2,5,5-tetramethylpyrroline 1-oxyl-3-carboxamide

Structural Information

Molecular Formula
C9H15N2O2
SMILES
CC1(C=C(C(N1[O])(C)C)C(=O)N)C
InChI
InChI=1S/C9H15N2O2/c1-8(2)5-6(7(10)12)9(3,4)11(8)13/h5H,1-4H3,(H2,10,12)
InChIKey
RUEXQFPLRRIFTI-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

34
References

12
Patents

183.11336 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.12064 134.9
[M+Na]+ 206.10258 145.0
[M-H]- 182.10608 138.0
[M+NH4]+ 201.14718 159.5
[M+K]+ 222.07652 144.4
[M+H-H2O]+ 166.11062 131.4
[M+HCOO]- 228.11156 157.6
[M+CH3COO]- 242.12721 185.4
[M+Na-2H]- 204.08803 139.0
[M]+ 183.11281 136.3
[M]- 183.11391 136.3
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