CID 24843391

88313-62-6

Structural Information

Molecular Formula
C15H28N2S
SMILES
C1C2CC3CC1CC(C2)(C3)NCCNCCCS
InChI
InChI=1S/C15H28N2S/c18-5-1-2-16-3-4-17-15-9-12-6-13(10-15)8-14(7-12)11-15/h12-14,16-18H,1-11H2
InChIKey
CTMVKXXAIYDFOZ-UHFFFAOYSA-N
Compound name
3-[2-(1-adamantylamino)ethylamino]propane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.19733 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.20461 158.5
[M+Na]+ 291.18655 157.9
[M-H]- 267.19005 152.1
[M+NH4]+ 286.23115 181.7
[M+K]+ 307.16049 154.7
[M+H-H2O]+ 251.19459 152.8
[M+HCOO]- 313.19553 162.0
[M+CH3COO]- 327.21118 165.2
[M+Na-2H]- 289.17200 168.9
[M]+ 268.19678 160.6
[M]- 268.19788 160.6
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.