CID 121552534

Rac-(1r,4s)-bicyclo[2.2.1]heptane-2-sulfonamide

Structural Information

Molecular Formula
C7H13NO2S
SMILES
C1C[C@H]2C[C@@H]1CC2S(=O)(=O)N
InChI
InChI=1S/C7H13NO2S/c8-11(9,10)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2,(H2,8,9,10)/t5-,6+,7?/m1/s1
InChIKey
JACBAHDRSTWZNH-JEAXJGTLSA-N
Compound name
(1S,4R)-bicyclo[2.2.1]heptane-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.0667 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07398 137.8
[M+Na]+ 198.05592 145.9
[M-H]- 174.05942 140.6
[M+NH4]+ 193.10052 163.4
[M+K]+ 214.02986 144.1
[M+H-H2O]+ 158.06396 134.8
[M+HCOO]- 220.06490 154.3
[M+CH3COO]- 234.08055 177.3
[M+Na-2H]- 196.04137 140.4
[M]+ 175.06615 137.5
[M]- 175.06725 137.5
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.