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

9
Patents

261.12842 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.135696 160.3
[M+Na]+ 284.117638 164.4
[M-H]- 260.121144 158.6
[M+NH4]+ 279.162243 184.5
[M+K]+ 300.091578 158.1
[M+H-H2O]+ 244.125680 153.6
[M+HCOO]- 306.126621 164.1
[M+CH3COO]- 320.142271 168.8
[M+Na-2H]- 282.103086 169.3
[M]+ 261.12787142 159.9
[M]- 261.12896858 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