CID 64543

88313-61-5

Structural Information

Molecular Formula
C16H30N2S
SMILES
C1C2CC3CC1CC(C2)(C3)CNCCNCCCS
InChI
InChI=1S/C16H30N2S/c19-5-1-2-17-3-4-18-12-16-9-13-6-14(10-16)8-15(7-13)11-16/h13-15,17-19H,1-12H2
InChIKey
LJHOVZKDUXHBDW-UHFFFAOYSA-N
Compound name
3-[2-(1-adamantylmethylamino)ethylamino]propane-1-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.21298 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.22026 162.7
[M+Na]+ 305.20220 161.6
[M-H]- 281.20570 156.0
[M+NH4]+ 300.24680 185.3
[M+K]+ 321.17614 158.2
[M+H-H2O]+ 265.21024 156.8
[M+HCOO]- 327.21118 165.8
[M+CH3COO]- 341.22683 169.0
[M+Na-2H]- 303.18765 172.6
[M]+ 282.21243 165.1
[M]- 282.21353 165.1
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.