CID 3010131

N-(1-adamantylmethyl)ethanamine

Structural Information

Molecular Formula
C13H23N
SMILES
CCNCC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C13H23N/c1-2-14-9-13-6-10-3-11(7-13)5-12(4-10)8-13/h10-12,14H,2-9H2,1H3
InChIKey
ABDQKCCDMJRBMT-UHFFFAOYSA-N
Compound name
N-(1-adamantylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

193.18304 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.190316 146.6
[M+Na]+ 216.172258 147.9
[M-H]- 192.175764 141.8
[M+NH4]+ 211.216863 172.7
[M+K]+ 232.146198 144.5
[M+H-H2O]+ 176.180300 140.4
[M+HCOO]- 238.181241 154.7
[M+CH3COO]- 252.196891 155.2
[M+Na-2H]- 214.157706 157.7
[M]+ 193.18249142 145.5
[M]- 193.18358858 145.5
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