CID 21476249

1-n-(adamantan-1-yl)benzene-1,2-diamine

Structural Information

Molecular Formula
C16H22N2
SMILES
C1C2CC3CC1CC(C2)(C3)NC4=CC=CC=C4N
InChI
InChI=1S/C16H22N2/c17-14-3-1-2-4-15(14)18-16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13,18H,5-10,17H2
InChIKey
KGZBTHSWXHSDKQ-UHFFFAOYSA-N
Compound name
2-N-(1-adamantyl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

242.1783 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.185576 151.8
[M+Na]+ 265.167518 153.4
[M-H]- 241.171024 149.7
[M+NH4]+ 260.212123 175.2
[M+K]+ 281.141458 148.7
[M+H-H2O]+ 225.175560 143.9
[M+HCOO]- 287.176501 160.9
[M+CH3COO]- 301.192151 160.0
[M+Na-2H]- 263.152966 163.1
[M]+ 242.17775142 148.4
[M]- 242.17884858 148.4
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