CID 5100144

Tricyclo[3.3.1.1~3,7~]decan-1-amine, 3-(1-methylethyl)-, conjugate acid

Structural Information

Molecular Formula
C13H23N
SMILES
CC(C)C12CC3CC(C1)CC(C3)(C2)N
InChI
InChI=1S/C13H23N/c1-9(2)12-4-10-3-11(5-12)7-13(14,6-10)8-12/h9-11H,3-8,14H2,1-2H3
InChIKey
UNZLVAUDWGXALA-UHFFFAOYSA-N
Compound name
3-propan-2-yladamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

158
Patents

193.18304 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.190316 151.2
[M+Na]+ 216.172258 153.4
[M-H]- 192.175764 146.1
[M+NH4]+ 211.216863 178.9
[M+K]+ 232.146198 149.9
[M+H-H2O]+ 176.180300 145.0
[M+HCOO]- 238.181241 157.4
[M+CH3COO]- 252.196891 159.6
[M+Na-2H]- 214.157706 160.6
[M]+ 193.18249142 148.8
[M]- 193.18358858 148.8
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