CID 12270837

1879-26-1

Structural Information

Molecular Formula

C₈H₁₁N₃O₄S

SMILES

COC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN

InChI

InChI=1S/C8H11N3O4S/c1-15-8(12)10-6-2-4-7(5-3-6)16(13,14)11-9/h2-5,11H,9H2,1H3,(H,10,12)

InChIKey

VCGUPTZENRKNQV-UHFFFAOYSA-N

Compound name

methyl N-[4-(hydrazinesulfonyl)phenyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 245.04703 Da
Monoisotopic Mass: 0.2
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]+	246.054306	149.1
[M+Na]+	268.036248	155.5
[M-H]-	244.039754	152.3
[M+NH4]+	263.080853	165.3
[M+K]+	284.010188	153.2
[M+H-H2O]+	228.044290	142.0
[M+HCOO]-	290.045231	169.5
[M+CH3COO]-	304.060881	193.6
[M+Na-2H]-	266.021696	154.0
[M]+	245.04648142	149.8
[M]-	245.04757858	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.