CID 11971106

Tetrahydro-n-(1-phenylethyl)-1,4-oxazepin-4(5h)-amine

Structural Information

Molecular Formula
C13H20N2O
SMILES
CC(C1=CC=CC=C1)NN2CCCOCC2
InChI
InChI=1S/C13H20N2O/c1-12(13-6-3-2-4-7-13)14-15-8-5-10-16-11-9-15/h2-4,6-7,12,14H,5,8-11H2,1H3
InChIKey
QYWVTWTWSCLPIB-UHFFFAOYSA-N
Compound name
N-(1-phenylethyl)-1,4-oxazepan-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.15756 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.16484 148.8
[M+Na]+ 243.14678 150.3
[M-H]- 219.15028 154.4
[M+NH4]+ 238.19138 162.4
[M+K]+ 259.12072 153.5
[M+H-H2O]+ 203.15482 140.8
[M+HCOO]- 265.15576 166.7
[M+CH3COO]- 279.17141 191.6
[M+Na-2H]- 241.13223 154.0
[M]+ 220.15701 141.6
[M]- 220.15811 141.6
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

No patent data available for this compound.