CID 43384866

4-(azepan-1-yl)-2-methylaniline

Structural Information

Molecular Formula
C13H20N2
SMILES
CC1=C(C=CC(=C1)N2CCCCCC2)N
InChI
InChI=1S/C13H20N2/c1-11-10-12(6-7-13(11)14)15-8-4-2-3-5-9-15/h6-7,10H,2-5,8-9,14H2,1H3
InChIKey
MWEQTUFZBZLFLP-UHFFFAOYSA-N
Compound name
4-(azepan-1-yl)-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

204.16264 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.16992 146.0
[M+Na]+ 227.15186 149.5
[M-H]- 203.15536 151.2
[M+NH4]+ 222.19646 161.9
[M+K]+ 243.12580 150.7
[M+H-H2O]+ 187.15990 138.6
[M+HCOO]- 249.16084 164.8
[M+CH3COO]- 263.17649 156.8
[M+Na-2H]- 225.13731 149.2
[M]+ 204.16209 137.2
[M]- 204.16319 137.2
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