CID 10421023

112925-36-7

Structural Information

Molecular Formula
C13H20N2O
SMILES
C1CN(CC(OC1)CN)CC2=CC=CC=C2
InChI
InChI=1S/C13H20N2O/c14-9-13-11-15(7-4-8-16-13)10-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,14H2
InChIKey
XUZFLQOWHVNBQZ-UHFFFAOYSA-N
Compound name
(4-benzyl-1,4-oxazepan-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

220.15756 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.16484 154.1
[M+Na]+ 243.14678 163.8
[M+NH4]+ 238.19138 161.6
[M+K]+ 259.12072 158.6
[M-H]- 219.15028 159.0
[M+Na-2H]- 241.13223 160.3
[M]+ 220.15701 156.8
[M]- 220.15811 156.8
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