CID 9816519

Pyrrolidine, 1-[[(4-hydrazinylphenyl)methyl]sulfonyl]-, hydrochloride (1:1)

Structural Information

Molecular Formula
C11H17N3O2S
SMILES
C1CCN(C1)S(=O)(=O)CC2=CC=C(C=C2)NN
InChI
InChI=1S/C11H17N3O2S/c12-13-11-5-3-10(4-6-11)9-17(15,16)14-7-1-2-8-14/h3-6,13H,1-2,7-9,12H2
InChIKey
URINEQNRIFSXKT-UHFFFAOYSA-N
Compound name
[4-(pyrrolidin-1-ylsulfonylmethyl)phenyl]hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

255.10414 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.111416 155.5
[M+Na]+ 278.093358 161.6
[M-H]- 254.096864 160.2
[M+NH4]+ 273.137963 172.4
[M+K]+ 294.067298 157.8
[M+H-H2O]+ 238.101400 148.3
[M+HCOO]- 300.102341 173.0
[M+CH3COO]- 314.117991 193.3
[M+Na-2H]- 276.078806 158.1
[M]+ 255.10359142 153.3
[M]- 255.10468858 153.3
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