CID 71756728

N,n-dimethyl-4-(methylsulfanyl)pyrrolidin-3-amine dihydrochloride

Structural Information

Molecular Formula
C7H16N2S
SMILES
CN(C)C1CNCC1SC
InChI
InChI=1S/C7H16N2S/c1-9(2)6-4-8-5-7(6)10-3/h6-8H,4-5H2,1-3H3
InChIKey
GZXRMSQJHZBCEH-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-methylsulfanylpyrrolidin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.10342 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.11070 135.7
[M+Na]+ 183.09264 142.0
[M-H]- 159.09614 137.9
[M+NH4]+ 178.13724 157.5
[M+K]+ 199.06658 140.9
[M+H-H2O]+ 143.10068 129.7
[M+HCOO]- 205.10162 152.1
[M+CH3COO]- 219.11727 179.4
[M+Na-2H]- 181.07809 135.7
[M]+ 160.10287 134.6
[M]- 160.10397 134.6
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.