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]+ 185.11070 140.7
[M+Na]+ 207.09264 147.2
[M-H]- 183.09614 141.4
[M+NH4]+ 202.13724 163.0
[M+K]+ 223.06658 144.3
[M+H-H2O]+ 167.10068 135.7
[M+HCOO]- 229.10162 152.9
[M+CH3COO]- 243.11727 184.2
[M+Na-2H]- 205.07809 140.7
[M]+ 184.10287 137.3
[M]- 184.10397 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.