CID 6434751

Usaf a-4718

Structural Information

Molecular Formula
C17H35NS
SMILES
CCCCCCCCCCCCS/C=C/CN(C)C
InChI
InChI=1S/C17H35NS/c1-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18(2)3/h14,17H,4-13,15-16H2,1-3H3/b17-14+
InChIKey
SAPNGIPFTRWMKB-SAPNQHFASA-N
Compound name
(E)-3-dodecylsulfanyl-N,N-dimethylprop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.24902 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.25630 176.0
[M+Na]+ 308.23824 178.3
[M-H]- 284.24174 175.8
[M+NH4]+ 303.28284 193.0
[M+K]+ 324.21218 174.8
[M+H-H2O]+ 268.24628 168.6
[M+HCOO]- 330.24722 192.3
[M+CH3COO]- 344.26287 210.9
[M+Na-2H]- 306.22369 173.5
[M]+ 285.24847 183.1
[M]- 285.24957 183.1
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

No patent data available for this compound.