CID 3613451

(3,8-dimethyladamantanyl)methylamine

Structural Information

Molecular Formula
C13H23N
SMILES
CC12CC3CC(C1)(CC(C3)(C2)CN)C
InChI
InChI=1S/C13H23N/c1-11-3-10-4-12(2,6-11)8-13(5-10,7-11)9-14/h10H,3-9,14H2,1-2H3
InChIKey
GPYYBGAAAREIRT-UHFFFAOYSA-N
Compound name
(3,5-dimethyl-1-adamantyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

10
Patents

193.18304 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.190316 150.9
[M+Na]+ 216.172258 154.8
[M-H]- 192.175764 146.3
[M+NH4]+ 211.216863 180.6
[M+K]+ 232.146198 150.6
[M+H-H2O]+ 176.180300 144.1
[M+HCOO]- 238.181241 158.1
[M+CH3COO]- 252.196891 159.9
[M+Na-2H]- 214.157706 162.2
[M]+ 193.18249142 149.7
[M]- 193.18358858 149.7
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