CID 4912940

(adamantan-1-yl)(phenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C17H23N
SMILES
C1C2CC3CC1CC(C2)(C3)C(C4=CC=CC=C4)N
InChI
InChI=1S/C17H23N/c18-16(15-4-2-1-3-5-15)17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14,16H,6-11,18H2
InChIKey
RKXNBHCKARUOTD-UHFFFAOYSA-N
Compound name
1-adamantyl(phenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.18304 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.19032 156.0
[M+Na]+ 264.17226 156.5
[M-H]- 240.17576 153.5
[M+NH4]+ 259.21686 179.3
[M+K]+ 280.14620 151.8
[M+H-H2O]+ 224.18030 147.8
[M+HCOO]- 286.18124 162.6
[M+CH3COO]- 300.19689 163.5
[M+Na-2H]- 262.15771 165.2
[M]+ 241.18249 152.2
[M]- 241.18359 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

No patent data available for this compound.