CID 22931

6422-32-8

Structural Information

Molecular Formula
C10H26N2S
SMILES
C[N+](C)(C)CCSCC[N+](C)(C)C
InChI
InChI=1S/C10H26N2S/c1-11(2,3)7-9-13-10-8-12(4,5)6/h7-10H2,1-6H3/q+2
InChIKey
AXATXDNEMRRBJL-UHFFFAOYSA-N
Compound name
trimethyl-[2-[2-(trimethylazaniumyl)ethylsulfanyl]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

206.18167 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.18895 139.2
[M+Na]+ 229.17089 144.5
[M-H]- 205.17439 142.6
[M+NH4]+ 224.21549 159.6
[M+K]+ 245.14483 133.7
[M+H-H2O]+ 189.17893 139.4
[M+HCOO]- 251.17987 157.1
[M+CH3COO]- 265.19552 187.1
[M+Na-2H]- 227.15634 149.0
[M]+ 206.18112 141.1
[M]- 206.18222 141.1
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

patents stripe