CID 3010112

Methyl 3-(1-adamantylamino)propanoate

Structural Information

Molecular Formula
C14H23NO2
SMILES
COC(=O)CCNC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C14H23NO2/c1-17-13(16)2-3-15-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12,15H,2-9H2,1H3
InChIKey
AETPTMAGISCGHF-UHFFFAOYSA-N
Compound name
methyl 3-(1-adamantylamino)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

237.17288 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.18016 156.3
[M+Na]+ 260.16210 156.9
[M-H]- 236.16560 151.0
[M+NH4]+ 255.20670 180.4
[M+K]+ 276.13604 154.4
[M+H-H2O]+ 220.17014 150.1
[M+HCOO]- 282.17108 163.4
[M+CH3COO]- 296.18673 164.1
[M+Na-2H]- 258.14755 166.3
[M]+ 237.17233 157.1
[M]- 237.17343 157.1
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.