CID 172907977

1801892-67-0

Structural Information

Molecular Formula
C14H17NO2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N2CCC3(CC2)C=C3
InChI
InChI=1S/C14H17NO2S/c1-12-2-4-13(5-3-12)18(16,17)15-10-8-14(6-7-14)9-11-15/h2-7H,8-11H2,1H3
InChIKey
DIKRSMNSDBMZHO-UHFFFAOYSA-N
Compound name
6-(4-methylphenyl)sulfonyl-6-azaspiro[2.5]oct-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.098 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.10528 159.4
[M+Na]+ 286.08722 168.8
[M-H]- 262.09072 167.2
[M+NH4]+ 281.13182 172.5
[M+K]+ 302.06116 165.2
[M+H-H2O]+ 246.09526 152.5
[M+HCOO]- 308.09620 174.2
[M+CH3COO]- 322.11185 194.3
[M+Na-2H]- 284.07267 164.6
[M]+ 263.09745 161.8
[M]- 263.09855 161.8
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.