CID 3613451

110916-44-4

Structural Information

Molecular Formula
C13H23N
SMILES
CC12CC3CC(C1)(CC(C3)(C2)CN)C
InChI
InChI=1S/C13H23N/c1-11-3-10-4-12(2,6-11)8-13(5-10,7-11)9-14/h10H,3-9,14H2,1-2H3
InChIKey
GPYYBGAAAREIRT-UHFFFAOYSA-N
Compound name
(3,5-dimethyl-1-adamantyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

12
Patents

193.18304 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.19032 150.7
[M+Na]+ 216.17226 159.4
[M+NH4]+ 211.21686 166.8
[M+K]+ 232.14620 145.8
[M-H]- 192.17576 150.0
[M+Na-2H]- 214.15771 150.8
[M]+ 193.18249 152.2
[M]- 193.18359 152.2
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