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]+ 245.09545 152.0
[M+Na]+ 267.07739 159.5
[M-H]- 243.08089 155.4
[M+NH4]+ 262.12199 169.2
[M+K]+ 283.05133 156.3
[M+H-H2O]+ 227.08543 145.4
[M+HCOO]- 289.08637 171.4
[M+CH3COO]- 303.10202 194.6
[M+Na-2H]- 265.06284 155.6
[M]+ 244.08762 154.8
[M]- 244.08872 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.