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]+ 174.13111 141.2
[M+Na]+ 196.11305 146.5
[M-H]- 172.11655 142.6
[M+NH4]+ 191.15765 162.5
[M+K]+ 212.08699 145.6
[M+H-H2O]+ 156.12109 135.4
[M+HCOO]- 218.12203 159.0
[M+CH3COO]- 232.13768 188.4
[M+Na-2H]- 194.09850 141.5
[M]+ 173.12328 144.7
[M]- 173.12438 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.