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]+ 238.18016 161.1
[M+Na]+ 260.16210 165.7
[M-H]- 236.16560 156.4
[M+NH4]+ 255.20670 190.6
[M+K]+ 276.13604 162.3
[M+H-H2O]+ 220.17014 154.5
[M+HCOO]- 282.17108 167.2
[M+CH3COO]- 296.18673 169.7
[M+Na-2H]- 258.14755 172.3
[M]+ 237.17233 162.4
[M]- 237.17343 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.