CID 181729

42194-25-2

Structural Information

Molecular Formula
C13H23N
SMILES
CC12CC3(CC(C1)(CC(C2)(C3)N)C)C
InChI
InChI=1S/C13H23N/c1-10-4-11(2)6-12(3,5-10)9-13(14,7-10)8-11/h4-9,14H2,1-3H3
InChIKey
XOEUSMBMGXZZJL-UHFFFAOYSA-N
Compound name
3,5,7-trimethyladamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

168
Patents

193.18304 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.190316 151.3
[M+Na]+ 216.172258 156.6
[M-H]- 192.175764 147.1
[M+NH4]+ 211.216863 182.8
[M+K]+ 232.146198 152.1
[M+H-H2O]+ 176.180300 144.2
[M+HCOO]- 238.181241 158.4
[M+CH3COO]- 252.196891 160.7
[M+Na-2H]- 214.157706 163.3
[M]+ 193.18249142 150.6
[M]- 193.18358858 150.6
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