CID 2874056

314768-63-3

Structural Information

Molecular Formula
C16H25NO3S
SMILES
CN(C1CCS(=O)(=O)C1)C(=O)C23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C16H25NO3S/c1-17(14-2-3-21(19,20)10-14)15(18)16-7-11-4-12(8-16)6-13(5-11)9-16/h11-14H,2-10H2,1H3
InChIKey
LYLAVZZCRIEZQP-UHFFFAOYSA-N
Compound name
N-(1,1-dioxothiolan-3-yl)-N-methyladamantane-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

311.15552 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.16280 166.9
[M+Na]+ 334.14474 168.0
[M-H]- 310.14824 164.9
[M+NH4]+ 329.18934 192.3
[M+K]+ 350.11868 166.0
[M+H-H2O]+ 294.15278 161.6
[M+HCOO]- 356.15372 168.7
[M+CH3COO]- 370.16937 174.4
[M+Na-2H]- 332.13019 173.5
[M]+ 311.15497 169.3
[M]- 311.15607 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.