CID 20467591

4-(adamantan-1-yl)-2-chloroaniline hydrochloride

Structural Information

Molecular Formula
C16H20ClN
SMILES
C1C2CC3CC1CC(C2)(C3)C4=CC(=C(C=C4)N)Cl
InChI
InChI=1S/C16H20ClN/c17-14-6-13(1-2-15(14)18)16-7-10-3-11(8-16)5-12(4-10)9-16/h1-2,6,10-12H,3-5,7-9,18H2
InChIKey
YLZWHRNKSFXZGM-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-2-chloroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

261.12842 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.13570 160.3
[M+Na]+ 284.11764 164.4
[M-H]- 260.12114 158.6
[M+NH4]+ 279.16224 184.5
[M+K]+ 300.09158 158.1
[M+H-H2O]+ 244.12568 153.6
[M+HCOO]- 306.12662 164.1
[M+CH3COO]- 320.14227 168.8
[M+Na-2H]- 282.10309 169.3
[M]+ 261.12787 159.9
[M]- 261.12897 159.9
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

patents stripe