CID 35988

Adamantane, 1-(2-benzylaminopropyl)-, hydrochloride

Structural Information

Molecular Formula
C20H29N
SMILES
C1C2CC3CC1CC(C2)(C3)CCCNCC4=CC=CC=C4
InChI
InChI=1S/C20H29N/c1-2-5-16(6-3-1)15-21-8-4-7-20-12-17-9-18(13-20)11-19(10-17)14-20/h1-3,5-6,17-19,21H,4,7-15H2
InChIKey
KKSOJSYDASBDRD-UHFFFAOYSA-N
Compound name
3-(1-adamantyl)-N-benzylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.23 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.23728 166.7
[M+Na]+ 306.21922 166.1
[M-H]- 282.22272 163.9
[M+NH4]+ 301.26382 188.5
[M+K]+ 322.19316 160.6
[M+H-H2O]+ 266.22726 157.5
[M+HCOO]- 328.22820 173.9
[M+CH3COO]- 342.24385 173.3
[M+Na-2H]- 304.20467 176.4
[M]+ 283.22945 165.1
[M]- 283.23055 165.1
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.