CID 53471469

13358-19-5

Structural Information

Molecular Formula
C12H21NO
SMILES
COC12CC3CC(C1)CC(C3)(C2)CN
InChI
InChI=1S/C12H21NO/c1-14-12-5-9-2-10(6-12)4-11(3-9,7-12)8-13/h9-10H,2-8,13H2,1H3
InChIKey
SZOAOLJFTBJMMU-UHFFFAOYSA-N
Compound name
(3-methoxy-1-adamantyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.16231 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.16959 148.0
[M+Na]+ 218.15153 150.9
[M-H]- 194.15503 143.1
[M+NH4]+ 213.19613 175.6
[M+K]+ 234.12547 147.7
[M+H-H2O]+ 178.15957 141.7
[M+HCOO]- 240.16051 155.8
[M+CH3COO]- 254.17616 156.9
[M+Na-2H]- 216.13698 159.5
[M]+ 195.16176 147.5
[M]- 195.16286 147.5
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.