CID 35974

31897-80-0

Structural Information

Molecular Formula
C20H29N
SMILES
CC(CC12CC3CC(C1)CC(C3)C2C4=CC=CC=C4)NC
InChI
InChI=1S/C20H29N/c1-14(21-2)11-20-12-15-8-16(13-20)10-18(9-15)19(20)17-6-4-3-5-7-17/h3-7,14-16,18-19,21H,8-13H2,1-2H3
InChIKey
HMQZDEVWTFIVEX-UHFFFAOYSA-N
Compound name
N-methyl-1-(2-phenyl-1-adamantyl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
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 169.5
[M+Na]+ 306.21922 169.3
[M-H]- 282.22272 167.0
[M+NH4]+ 301.26382 191.5
[M+K]+ 322.19316 164.4
[M+H-H2O]+ 266.22726 160.8
[M+HCOO]- 328.22820 175.4
[M+CH3COO]- 342.24385 176.1
[M+Na-2H]- 304.20467 177.3
[M]+ 283.22945 167.6
[M]- 283.23055 167.6
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