CID 64555322

1-(cyclopropanesulfonyl)-1,4-diazepane hydrochloride

Structural Information

Molecular Formula
C8H16N2O2S
SMILES
C1CNCCN(C1)S(=O)(=O)C2CC2
InChI
InChI=1S/C8H16N2O2S/c11-13(12,8-2-3-8)10-6-1-4-9-5-7-10/h8-9H,1-7H2
InChIKey
RTVOCMJYAAFMOI-UHFFFAOYSA-N
Compound name
1-cyclopropylsulfonyl-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

204.09325 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.10053 141.6
[M+Na]+ 227.08247 145.9
[M-H]- 203.08597 144.8
[M+NH4]+ 222.12707 151.4
[M+K]+ 243.05641 147.0
[M+H-H2O]+ 187.09051 133.6
[M+HCOO]- 249.09145 152.4
[M+CH3COO]- 263.10710 182.8
[M+Na-2H]- 225.06792 143.9
[M]+ 204.09270 136.9
[M]- 204.09380 136.9
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

patents stripe