CID 145867182

1849328-00-2

Structural Information

Molecular Formula
C9H19NS
SMILES
CC(=C)CCN(C)CCSC
InChI
InChI=1S/C9H19NS/c1-9(2)5-6-10(3)7-8-11-4/h1,5-8H2,2-4H3
InChIKey
BMGKEVNJACLLKT-UHFFFAOYSA-N
Compound name
N,3-dimethyl-N-(2-methylsulfanylethyl)but-3-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.12383 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.131106 141.2
[M+Na]+ 196.113048 146.5
[M-H]- 172.116554 142.6
[M+NH4]+ 191.157653 162.5
[M+K]+ 212.086988 145.6
[M+H-H2O]+ 156.121090 135.4
[M+HCOO]- 218.122031 159.0
[M+CH3COO]- 232.137681 188.4
[M+Na-2H]- 194.098496 141.5
[M]+ 173.12328142 144.7
[M]- 173.12437858 144.7
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.