CID 3010153

Ethyl n-(1-adamantyl)carbamate

Structural Information

Molecular Formula
C13H21NO2
SMILES
CCOC(=O)NC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C13H21NO2/c1-2-16-12(15)14-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,2-8H2,1H3,(H,14,15)
InChIKey
UUZRKUNSLBUDSM-UHFFFAOYSA-N
Compound name
ethyl N-(1-adamantyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

8
Patents

223.15723 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.16451 151.9
[M+Na]+ 246.14645 153.0
[M-H]- 222.14995 146.9
[M+NH4]+ 241.19105 176.6
[M+K]+ 262.12039 150.8
[M+H-H2O]+ 206.15449 145.9
[M+HCOO]- 268.15543 159.4
[M+CH3COO]- 282.17108 160.2
[M+Na-2H]- 244.13190 162.4
[M]+ 223.15668 152.3
[M]- 223.15778 152.3
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

patents stripe