CID 206650

23242-29-7

Structural Information

Molecular Formula
C13H20N2S
SMILES
C1CCC2(CC1)C3=C(CCCC3)N=C(S2)N
InChI
InChI=1S/C13H20N2S/c14-12-15-11-7-3-2-6-10(11)13(16-12)8-4-1-5-9-13/h1-9H2,(H2,14,15)
InChIKey
NQAWQTUJTNVDCW-UHFFFAOYSA-N
Compound name
spiro[5,6,7,8-tetrahydro-3,1-benzothiazine-4,1'-cyclohexane]-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

2
Patents

236.13472 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.141996 150.5
[M+Na]+ 259.123938 155.0
[M-H]- 235.127444 153.5
[M+NH4]+ 254.168543 169.9
[M+K]+ 275.097878 150.6
[M+H-H2O]+ 219.131980 143.2
[M+HCOO]- 281.132921 160.5
[M+CH3COO]- 295.148571 160.4
[M+Na-2H]- 257.109386 154.4
[M]+ 236.13417142 142.3
[M]- 236.13526858 142.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe