CID 43447963

4-methanesulfonyl-1-n-(2-methoxyethyl)benzene-1,2-diamine

Structural Information

Molecular Formula
C10H16N2O3S
SMILES
COCCNC1=C(C=C(C=C1)S(=O)(=O)C)N
InChI
InChI=1S/C10H16N2O3S/c1-15-6-5-12-10-4-3-8(7-9(10)11)16(2,13)14/h3-4,7,12H,5-6,11H2,1-2H3
InChIKey
PTAASAQVEIEYQQ-UHFFFAOYSA-N
Compound name
1-N-(2-methoxyethyl)-4-methylsulfonylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.08817 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.095446 152.0
[M+Na]+ 267.077388 159.5
[M-H]- 243.080894 155.4
[M+NH4]+ 262.121993 169.2
[M+K]+ 283.051328 156.3
[M+H-H2O]+ 227.085430 145.4
[M+HCOO]- 289.086371 171.4
[M+CH3COO]- 303.102021 194.6
[M+Na-2H]- 265.062836 155.6
[M]+ 244.08762142 154.8
[M]- 244.08871858 154.8
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.