CID 189142

N-methylmaleimide nitroxide

Structural Information

Molecular Formula

C₁₃H₁₉N₂O₃

SMILES

CC1(CC(C(N1[O])(C)C)CN2C(=O)C=CC2=O)C

InChI

InChI=1S/C13H19N2O3/c1-12(2)7-9(13(3,4)15(12)18)8-14-10(16)5-6-11(14)17/h5-6,9H,7-8H2,1-4H3

InChIKey

FHTCUAVCPMMPNP-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2
Patents: 251.13957 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	252.14685	150.6
[M+Na]+	274.12879	161.2
[M-H]-	250.13229	155.9
[M+NH4]+	269.17339	173.4
[M+K]+	290.10273	159.3
[M+H-H2O]+	234.13683	146.0
[M+HCOO]-	296.13777	171.1
[M+CH3COO]-	310.15342	195.2
[M+Na-2H]-	272.11424	151.3
[M]+	251.13902	153.4
[M]-	251.14012	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe