CID 131176221

2,2-dimethyl-4-(2-nitroethyl)thiomorpholine

Structural Information

Molecular Formula
C8H16N2O2S
SMILES
CC1(CN(CCS1)CC[N+](=O)[O-])C
InChI
InChI=1S/C8H16N2O2S/c1-8(2)7-9(5-6-13-8)3-4-10(11)12/h3-7H2,1-2H3
InChIKey
NUPBVQNBNFZBAP-UHFFFAOYSA-N
Compound name
2,2-dimethyl-4-(2-nitroethyl)thiomorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.09325 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.10053 142.1
[M+Na]+ 227.08247 152.6
[M+NH4]+ 222.12707 151.9
[M+K]+ 243.05641 145.8
[M-H]- 203.08597 144.6
[M+Na-2H]- 225.06792 147.5
[M]+ 204.09270 144.7
[M]- 204.09380 144.7
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

No patent data available for this compound.