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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.05431 149.1
[M+Na]+ 268.03625 155.5
[M-H]- 244.03975 152.3
[M+NH4]+ 263.08085 165.3
[M+K]+ 284.01019 153.2
[M+H-H2O]+ 228.04429 142.0
[M+HCOO]- 290.04523 169.5
[M+CH3COO]- 304.06088 193.6
[M+Na-2H]- 266.02170 154.0
[M]+ 245.04648 149.8
[M]- 245.04758 149.8
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.