CID 165565480

[1-(aminomethyl)cyclobutyl]methanesulfonyl fluoride hydrochloride

Structural Information

Molecular Formula
C6H12FNO2S
SMILES
C1CC(C1)(CN)CS(=O)(=O)F
InChI
InChI=1S/C6H12FNO2S/c7-11(9,10)5-6(4-8)2-1-3-6/h1-5,8H2
InChIKey
RGSSOCMNJBQPJA-UHFFFAOYSA-N
Compound name
[1-(aminomethyl)cyclobutyl]methanesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.05728 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.06456 133.9
[M+Na]+ 204.04650 139.0
[M-H]- 180.05000 135.3
[M+NH4]+ 199.09110 148.6
[M+K]+ 220.02044 140.2
[M+H-H2O]+ 164.05454 123.1
[M+HCOO]- 226.05548 148.8
[M+CH3COO]- 240.07113 181.4
[M+Na-2H]- 202.03195 137.7
[M]+ 181.05673 141.0
[M]- 181.05783 141.0
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.