CID 547499

1483-12-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

9
References

160
Patents

193.18304 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.19032 146.4
[M+Na]+ 216.17226 154.7
[M+NH4]+ 211.21686 159.8
[M+K]+ 232.14620 145.2
[M-H]- 192.17576 145.5
[M+Na-2H]- 214.15771 143.7
[M]+ 193.18249 147.4
[M]- 193.18359 147.4
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