CID 2802849

3-(acetylamino)-5-ethyl-1-adamantanecarboxylic acid

Structural Information

Molecular Formula
C15H23NO3
SMILES
CCC12CC3CC(C1)(CC(C3)(C2)NC(=O)C)C(=O)O
InChI
InChI=1S/C15H23NO3/c1-3-13-4-11-5-14(7-13,12(18)19)9-15(6-11,8-13)16-10(2)17/h11H,3-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKey
HPMOYMFFMYKWGN-UHFFFAOYSA-N
Compound name
3-acetamido-5-ethyladamantane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

265.1678 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.175076 166.2
[M+Na]+ 288.157018 168.5
[M-H]- 264.160524 159.8
[M+NH4]+ 283.201623 192.1
[M+K]+ 304.130958 165.3
[M+H-H2O]+ 248.165060 160.5
[M+HCOO]- 310.166001 170.4
[M+CH3COO]- 324.181651 173.4
[M+Na-2H]- 286.142466 176.1
[M]+ 265.16725142 166.8
[M]- 265.16834858 166.8
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.