CID 408924

(4-methoxyanilino)sulfamic acid

Structural Information

Molecular Formula

C₇H₁₀N₂O₄S

SMILES

COC1=CC=C(C=C1)NNS(=O)(=O)O

InChI

InChI=1S/C7H10N2O4S/c1-13-7-4-2-6(3-5-7)8-9-14(10,11)12/h2-5,8-9H,1H3,(H,10,11,12)

InChIKey

CQOVZPAZDZGSBF-UHFFFAOYSA-N

Compound name

(4-methoxyanilino)sulfamic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 218.03613 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]+	219.04341	143.4
[M+Na]+	241.02535	152.0
[M+NH4]+	236.06995	149.6
[M+K]+	256.99929	146.9
[M-H]-	217.02885	143.7
[M+Na-2H]-	239.01080	148.1
[M]+	218.03558	144.8
[M]-	218.03668	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe