CID 81095946

2839156-55-5

Structural Information

Molecular Formula
C12H21N
SMILES
CNCC1C2CC3CC(C2)CC1C3
InChI
InChI=1S/C12H21N/c1-13-7-12-10-3-8-2-9(5-10)6-11(12)4-8/h8-13H,2-7H2,1H3
InChIKey
BUXVZXMFPYJBJA-UHFFFAOYSA-N
Compound name
1-(2-adamantyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.1674 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.174676 141.0
[M+Na]+ 202.156618 142.4
[M-H]- 178.160124 136.4
[M+NH4]+ 197.201223 166.0
[M+K]+ 218.130558 139.5
[M+H-H2O]+ 162.164660 135.6
[M+HCOO]- 224.165601 149.6
[M+CH3COO]- 238.181251 150.1
[M+Na-2H]- 200.142066 151.4
[M]+ 179.16685142 139.7
[M]- 179.16794858 139.7
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.