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

6
Patents

242.1783 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.18558 151.8
[M+Na]+ 265.16752 153.4
[M-H]- 241.17102 149.7
[M+NH4]+ 260.21212 175.2
[M+K]+ 281.14146 148.7
[M+H-H2O]+ 225.17556 143.9
[M+HCOO]- 287.17650 160.9
[M+CH3COO]- 301.19215 160.0
[M+Na-2H]- 263.15297 163.1
[M]+ 242.17775 148.4
[M]- 242.17885 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