CID 3010130

[(adamantan-1-yl)methyl](methyl)amine

Structural Information

Molecular Formula
C12H21N
SMILES
CNCC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C12H21N/c1-13-8-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11,13H,2-8H2,1H3
InChIKey
DQSIEXZABIATEF-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

98
Patents

179.1674 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.174676 142.1
[M+Na]+ 202.156618 143.8
[M-H]- 178.160124 137.4
[M+NH4]+ 197.201223 168.7
[M+K]+ 218.130558 140.6
[M+H-H2O]+ 162.164660 136.0
[M+HCOO]- 224.165601 150.5
[M+CH3COO]- 238.181251 151.1
[M+Na-2H]- 200.142066 153.7
[M]+ 179.16685142 140.7
[M]- 179.16794858 140.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe