CID 18941136

1565470-03-2

Structural Information

Molecular Formula
C9H16N2S
SMILES
CN1C2CCC1CC(C2)C(=S)N
InChI
InChI=1S/C9H16N2S/c1-11-7-2-3-8(11)5-6(4-7)9(10)12/h6-8H,2-5H2,1H3,(H2,10,12)
InChIKey
ZJRYBKMLTHMZEM-UHFFFAOYSA-N
Compound name
8-methyl-8-azabicyclo[3.2.1]octane-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.10342 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.110696 140.7
[M+Na]+ 207.092638 147.2
[M-H]- 183.096144 141.4
[M+NH4]+ 202.137243 163.0
[M+K]+ 223.066578 144.3
[M+H-H2O]+ 167.100680 135.7
[M+HCOO]- 229.101621 152.9
[M+CH3COO]- 243.117271 184.2
[M+Na-2H]- 205.078086 140.7
[M]+ 184.10287142 137.3
[M]- 184.10396858 137.3
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.