CID 40441

52583-00-3

Structural Information

Molecular Formula
C20H29N
SMILES
CN(C)CCC12CC3CC(C1)CC(C3)C2C4=CC=CC=C4
InChI
InChI=1S/C20H29N/c1-21(2)9-8-20-13-15-10-16(14-20)12-18(11-15)19(20)17-6-4-3-5-7-17/h3-7,15-16,18-19H,8-14H2,1-2H3
InChIKey
YUOIKCMSBDGCMU-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(2-phenyl-1-adamantyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.23 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.23728 169.4
[M+Na]+ 306.21922 169.5
[M-H]- 282.22272 168.2
[M+NH4]+ 301.26382 192.0
[M+K]+ 322.19316 165.3
[M+H-H2O]+ 266.22726 160.1
[M+HCOO]- 328.22820 176.8
[M+CH3COO]- 342.24385 176.7
[M+Na-2H]- 304.20467 177.4
[M]+ 283.22945 169.1
[M]- 283.23055 169.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.