CID 3020022

Schembl3787650

Structural Information

Molecular Formula
C13H20N2
SMILES
C1CCC(CC1)(CC2=CC=CC=C2N)N
InChI
InChI=1S/C13H20N2/c14-12-7-3-2-6-11(12)10-13(15)8-4-1-5-9-13/h2-3,6-7H,1,4-5,8-10,14-15H2
InChIKey
YGGKCQDWJXVRPL-UHFFFAOYSA-N
Compound name
2-[(1-aminocyclohexyl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

204.16264 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.169916 147.7
[M+Na]+ 227.151858 152.0
[M-H]- 203.155364 152.7
[M+NH4]+ 222.196463 167.3
[M+K]+ 243.125798 148.4
[M+H-H2O]+ 187.159900 140.9
[M+HCOO]- 249.160841 169.0
[M+CH3COO]- 263.176491 189.2
[M+Na-2H]- 225.137306 152.3
[M]+ 204.16209142 139.5
[M]- 204.16318858 139.5
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