CID 64520

Brn 5741087

Structural Information

Molecular Formula
C13H21NOS
SMILES
C1C2CC3CC1CC(C2)(C3)C(=O)NCCS
InChI
InChI=1S/C13H21NOS/c15-12(14-1-2-16)13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11,16H,1-8H2,(H,14,15)
InChIKey
IYQYYKUEORAMKZ-UHFFFAOYSA-N
Compound name
N-(2-sulfanylethyl)adamantane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.13438 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.14166 152.2
[M+Na]+ 262.12360 159.7
[M+NH4]+ 257.16820 165.2
[M+K]+ 278.09754 148.7
[M-H]- 238.12710 150.6
[M+Na-2H]- 260.10905 149.8
[M]+ 239.13383 153.3
[M]- 239.13493 153.3
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.