CID 6481067

N-(2-methylsulfanylphenyl)cyclododecanamine

Structural Information

Molecular Formula
C19H31NS
SMILES
CSC1=CC=CC=C1NC2CCCCCCCCCCC2
InChI
InChI=1S/C19H31NS/c1-21-19-16-12-11-15-18(19)20-17-13-9-7-5-3-2-4-6-8-10-14-17/h11-12,15-17,20H,2-10,13-14H2,1H3
InChIKey
AMTWNPFNUGEHFG-UHFFFAOYSA-N
Compound name
N-(2-methylsulfanylphenyl)cyclododecanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.2177 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.22498 170.6
[M+Na]+ 328.20692 171.4
[M-H]- 304.21042 173.0
[M+NH4]+ 323.25152 182.5
[M+K]+ 344.18086 167.7
[M+H-H2O]+ 288.21496 166.0
[M+HCOO]- 350.21590 182.4
[M+CH3COO]- 364.23155 178.1
[M+Na-2H]- 326.19237 168.8
[M]+ 305.21715 160.9
[M]- 305.21825 160.9
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.