CID 2733513

2-phenyl-4,4,5,5-tetramethylimidazoline-1-oxyl 3-oxide

Structural Information

Molecular Formula
C13H17N2O2
SMILES
CC1(C([N+](=C(N1[O])C2=CC=CC=C2)[O-])(C)C)C
InChI
InChI=1S/C13H17N2O2/c1-12(2)13(3,4)15(17)11(14(12)16)10-8-6-5-7-9-10/h5-9H,1-4H3
InChIKey
DYUUGILMVYJEHY-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

214
References

3
Patents

233.129 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.13628 149.3
[M+Na]+ 256.11822 160.0
[M-H]- 232.12172 153.6
[M+NH4]+ 251.16282 170.1
[M+K]+ 272.09216 152.8
[M+H-H2O]+ 216.12626 148.0
[M+HCOO]- 278.12720 170.5
[M+CH3COO]- 292.14285 182.7
[M+Na-2H]- 254.10367 156.3
[M]+ 233.12845 149.8
[M]- 233.12955 149.8
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