CID 64311

Brn 2861884

Structural Information

Molecular Formula
C12H21NO3S2
SMILES
C1C2CC3CC1CC(C2)(C3)NCCSS(=O)(=O)O
InChI
InChI=1S/C12H21NO3S2/c14-18(15,16)17-2-1-13-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11,13H,1-8H2,(H,14,15,16)
InChIKey
YXDYLGVKBVJRMA-UHFFFAOYSA-N
Compound name
1-(2-sulfosulfanylethylamino)adamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.09628 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.10356 161.7
[M+Na]+ 314.08550 162.3
[M-H]- 290.08900 153.3
[M+NH4]+ 309.13010 183.2
[M+K]+ 330.05944 159.9
[M+H-H2O]+ 274.09354 158.7
[M+HCOO]- 336.09448 157.9
[M+CH3COO]- 350.11013 167.9
[M+Na-2H]- 312.07095 174.7
[M]+ 291.09573 166.3
[M]- 291.09683 166.3
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.