CID 40445

52583-03-6

Structural Information

Molecular Formula
C20H29N
SMILES
CNCCCC12CC3CC(C1)CC(C3)C2C4=CC=CC=C4
InChI
InChI=1S/C20H29N/c1-21-9-5-8-20-13-15-10-16(14-20)12-18(11-15)19(20)17-6-3-2-4-7-17/h2-4,6-7,15-16,18-19,21H,5,8-14H2,1H3
InChIKey
DSMSHXSLNGMIID-UHFFFAOYSA-N
Compound name
N-methyl-3-(2-phenyl-1-adamantyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.23 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.23728 168.1
[M+Na]+ 306.21922 168.4
[M-H]- 282.22272 165.7
[M+NH4]+ 301.26382 190.2
[M+K]+ 322.19316 162.9
[M+H-H2O]+ 266.22726 159.1
[M+HCOO]- 328.22820 175.2
[M+CH3COO]- 342.24385 175.0
[M+Na-2H]- 304.20467 177.1
[M]+ 283.22945 166.9
[M]- 283.23055 166.9
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.