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

20
Patents

218.03613 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.04341 141.4
[M+Na]+ 241.02535 148.7
[M-H]- 217.02885 144.0
[M+NH4]+ 236.06995 158.8
[M+K]+ 256.99929 146.2
[M+H-H2O]+ 201.03339 135.2
[M+HCOO]- 263.03433 161.3
[M+CH3COO]- 277.04998 184.7
[M+Na-2H]- 239.01080 148.0
[M]+ 218.03558 143.3
[M]- 218.03668 143.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe