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]+ 176.073976 137.8
[M+Na]+ 198.055918 145.9
[M-H]- 174.059424 140.6
[M+NH4]+ 193.100523 163.4
[M+K]+ 214.029858 144.1
[M+H-H2O]+ 158.063960 134.8
[M+HCOO]- 220.064901 154.3
[M+CH3COO]- 234.080551 177.3
[M+Na-2H]- 196.041366 140.4
[M]+ 175.06615142 137.5
[M]- 175.06724858 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.