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]+ 264.105276 159.4
[M+Na]+ 286.087218 168.8
[M-H]- 262.090724 167.2
[M+NH4]+ 281.131823 172.5
[M+K]+ 302.061158 165.2
[M+H-H2O]+ 246.095260 152.5
[M+HCOO]- 308.096201 174.2
[M+CH3COO]- 322.111851 194.3
[M+Na-2H]- 284.072666 164.6
[M]+ 263.09745142 161.8
[M]- 263.09854858 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.