CID 136575787

Methyl 3-amino-5,7-dimethyladamantane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C14H23NO2
SMILES
CC12CC3(CC(C1)(CC(C2)(C3)N)C(=O)OC)C
InChI
InChI=1S/C14H23NO2/c1-11-4-12(2)6-13(5-11,10(16)17-3)9-14(15,7-11)8-12/h4-9,15H2,1-3H3
InChIKey
NCPINVMHSNYUSM-UHFFFAOYSA-N
Compound name
methyl 3-amino-5,7-dimethyladamantane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.17288 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.180156 161.1
[M+Na]+ 260.162098 165.7
[M-H]- 236.165604 156.4
[M+NH4]+ 255.206703 190.6
[M+K]+ 276.136038 162.3
[M+H-H2O]+ 220.170140 154.5
[M+HCOO]- 282.171081 167.2
[M+CH3COO]- 296.186731 169.7
[M+Na-2H]- 258.147546 172.3
[M]+ 237.17233142 162.4
[M]- 237.17342858 162.4
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.