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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.