CID 2771750

2-phenyl-1,4-diazepane

Structural Information

Molecular Formula
C11H16N2
SMILES
C1CNCC(NC1)C2=CC=CC=C2
InChI
InChI=1S/C11H16N2/c1-2-5-10(6-3-1)11-9-12-7-4-8-13-11/h1-3,5-6,11-13H,4,7-9H2
InChIKey
PQOLMVXRIQLMNF-UHFFFAOYSA-N
Compound name
2-phenyl-1,4-diazepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

176.13135 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.138626 138.6
[M+Na]+ 199.120568 141.2
[M-H]- 175.124074 139.8
[M+NH4]+ 194.165173 152.8
[M+K]+ 215.094508 141.0
[M+H-H2O]+ 159.128610 130.5
[M+HCOO]- 221.129551 153.5
[M+CH3COO]- 235.145201 148.2
[M+Na-2H]- 197.106016 143.9
[M]+ 176.13080142 127.0
[M]- 176.13189858 127.0
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