CID 6472

Caramiphen

Structural Information

Molecular Formula
C18H27NO2
SMILES
CCN(CC)CCOC(=O)C1(CCCC1)C2=CC=CC=C2
InChI
InChI=1S/C18H27NO2/c1-3-19(4-2)14-15-21-17(20)18(12-8-9-13-18)16-10-6-5-7-11-16/h5-7,10-11H,3-4,8-9,12-15H2,1-2H3
InChIKey
OFAIGZWCDGNZGT-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 1-phenylcyclopentane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

122
References

5035
Patents

289.2042 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.21148 173.3
[M+Na]+ 312.19342 176.1
[M-H]- 288.19692 179.9
[M+NH4]+ 307.23802 192.3
[M+K]+ 328.16736 174.4
[M+H-H2O]+ 272.20146 165.7
[M+HCOO]- 334.20240 195.3
[M+CH3COO]- 348.21805 205.8
[M+Na-2H]- 310.17887 174.1
[M]+ 289.20365 173.9
[M]- 289.20475 173.9
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