CID 3010140

2-(adamantan-1-yl)propan-2-amine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

86
Patents

193.18304 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.190316 152.0
[M+Na]+ 216.172258 153.7
[M-H]- 192.175764 146.8
[M+NH4]+ 211.216863 177.9
[M+K]+ 232.146198 150.5
[M+H-H2O]+ 176.180300 146.7
[M+HCOO]- 238.181241 157.8
[M+CH3COO]- 252.196891 160.3
[M+Na-2H]- 214.157706 162.7
[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