CID 57425932

Methyl 4-aminoadamantane-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C12H19NO2
SMILES
COC(=O)C12CC3CC(C1)C(C(C3)C2)N
InChI
InChI=1S/C12H19NO2/c1-15-11(14)12-4-7-2-8(5-12)10(13)9(3-7)6-12/h7-10H,2-6,13H2,1H3
InChIKey
IXBLQWDWMIYKKE-UHFFFAOYSA-N
Compound name
methyl 4-aminoadamantane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

149
Patents

209.14159 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.14887 149.4
[M+Na]+ 232.13081 151.8
[M-H]- 208.13431 144.4
[M+NH4]+ 227.17541 174.7
[M+K]+ 248.10475 149.5
[M+H-H2O]+ 192.13885 144.0
[M+HCOO]- 254.13979 156.5
[M+CH3COO]- 268.15544 158.1
[M+Na-2H]- 230.11626 158.7
[M]+ 209.14104 149.0
[M]- 209.14214 149.0
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

patents stripe