CID 64514083

3-methylcyclopentane-1-sulfonamide

Structural Information

Molecular Formula
C6H13NO2S
SMILES
CC1CCC(C1)S(=O)(=O)N
InChI
InChI=1S/C6H13NO2S/c1-5-2-3-6(4-5)10(7,8)9/h5-6H,2-4H2,1H3,(H2,7,8,9)
InChIKey
KQZZSCBKUQZZPC-UHFFFAOYSA-N
Compound name
3-methylcyclopentane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

163.0667 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.073976 133.7
[M+Na]+ 186.055918 141.3
[M-H]- 162.059424 137.0
[M+NH4]+ 181.100523 156.2
[M+K]+ 202.029858 139.5
[M+H-H2O]+ 146.063960 129.1
[M+HCOO]- 208.064901 151.2
[M+CH3COO]- 222.080551 174.9
[M+Na-2H]- 184.041366 135.3
[M]+ 163.06615142 132.2
[M]- 163.06724858 132.2
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