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

1
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

patents stripe