CID 5276622

Tricyclo[3.3.1.1~3,7~]decan-1-amine, n,3,5-trimethyl-, conjugate acid

Structural Information

Molecular Formula
C13H23N
SMILES
CC12CC3CC(C1)(CC(C3)(C2)NC)C
InChI
InChI=1S/C13H23N/c1-11-4-10-5-12(2,7-11)9-13(6-10,8-11)14-3/h10,14H,4-9H2,1-3H3
InChIKey
FQPYRWAIWQNTFQ-UHFFFAOYSA-N
Compound name
N,3,5-trimethyladamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

161
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 149.2
[M+Na]+ 216.172258 153.0
[M-H]- 192.175764 145.1
[M+NH4]+ 211.216863 179.1
[M+K]+ 232.146198 149.1
[M+H-H2O]+ 176.180300 142.3
[M+HCOO]- 238.181241 157.0
[M+CH3COO]- 252.196891 158.5
[M+Na-2H]- 214.157706 161.5
[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