CID 104498

Ns00089793

Structural Information

Molecular Formula
C25H51NS2
SMILES
CCCCCCCCCCCCN(CCCCCCCCCCCC)C(=S)S
InChI
InChI=1S/C25H51NS2/c1-3-5-7-9-11-13-15-17-19-21-23-26(25(27)28)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,27,28)
InChIKey
DJWLPDXKMXJIEW-UHFFFAOYSA-N
Compound name
didodecylcarbamodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

353
Patents

429.34628 Da
Monoisotopic Mass

12.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.35356 211.2
[M+Na]+ 452.33550 209.6
[M-H]- 428.33900 208.9
[M+NH4]+ 447.38010 222.2
[M+K]+ 468.30944 202.9
[M+H-H2O]+ 412.34354 201.9
[M+HCOO]- 474.34448 217.9
[M+CH3COO]- 488.36013 238.6
[M+Na-2H]- 450.32095 202.5
[M]+ 429.34573 221.0
[M]- 429.34683 221.0
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