CID 426498

Nsc193474

Structural Information

Molecular Formula
C13H22N2S
SMILES
CC12CC3CC(C1)(CC(C3)(C2)SC(=N)N)C
InChI
InChI=1S/C13H22N2S/c1-11-3-9-4-12(2,6-11)8-13(5-9,7-11)16-10(14)15/h9H,3-8H2,1-2H3,(H3,14,15)
InChIKey
MXGSRDBIUMERRE-UHFFFAOYSA-N
Compound name
(3,5-dimethyl-1-adamantyl) carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.15038 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15766 154.0
[M+Na]+ 261.13960 156.6
[M-H]- 237.14310 147.9
[M+NH4]+ 256.18420 181.7
[M+K]+ 277.11354 153.2
[M+H-H2O]+ 221.14764 148.8
[M+HCOO]- 283.14858 156.2
[M+CH3COO]- 297.16423 161.8
[M+Na-2H]- 259.12505 165.2
[M]+ 238.14983 154.2
[M]- 238.15093 154.2
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.