CID 16778496

1-[(2-methylphenyl)methyl]-1,4-diazepane

Structural Information

Molecular Formula
C13H20N2
SMILES
CC1=CC=CC=C1CN2CCCNCC2
InChI
InChI=1S/C13H20N2/c1-12-5-2-3-6-13(12)11-15-9-4-7-14-8-10-15/h2-3,5-6,14H,4,7-11H2,1H3
InChIKey
YZYWLUMZHQKNJJ-UHFFFAOYSA-N
Compound name
1-[(2-methylphenyl)methyl]-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

204.16264 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.16992 148.7
[M+Na]+ 227.15186 159.3
[M+NH4]+ 222.19646 156.4
[M+K]+ 243.12580 153.4
[M-H]- 203.15536 151.6
[M+Na-2H]- 225.13731 155.8
[M]+ 204.16209 151.0
[M]- 204.16319 151.0
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