CID 71756615

6-oxa-2-thiaspiro[4.5]decan-9-amine

Structural Information

Molecular Formula
C8H15NOS
SMILES
C1COC2(CCSC2)CC1N
InChI
InChI=1S/C8H15NOS/c9-7-1-3-10-8(5-7)2-4-11-6-8/h7H,1-6,9H2
InChIKey
ICDSYTUJXHDOSO-UHFFFAOYSA-N
Compound name
6-oxa-2-thiaspiro[4.5]decan-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.08743 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.09471 135.5
[M+Na]+ 196.07665 140.8
[M-H]- 172.08015 140.5
[M+NH4]+ 191.12125 158.3
[M+K]+ 212.05059 139.9
[M+H-H2O]+ 156.08469 130.7
[M+HCOO]- 218.08563 150.1
[M+CH3COO]- 232.10128 147.9
[M+Na-2H]- 194.06210 138.5
[M]+ 173.08688 130.0
[M]- 173.08798 130.0
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.