CID 28781812

1-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepane

Structural Information

Molecular Formula
C10H17N3O
SMILES
CC1=CC(=NO1)CN2CCCNCC2
InChI
InChI=1S/C10H17N3O/c1-9-7-10(12-14-9)8-13-5-2-3-11-4-6-13/h7,11H,2-6,8H2,1H3
InChIKey
GJJDFSWVMGWFQG-UHFFFAOYSA-N
Compound name
3-(1,4-diazepan-1-ylmethyl)-5-methyl-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.13716 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.14444 146.2
[M+Na]+ 218.12638 155.1
[M+NH4]+ 213.17098 152.6
[M+K]+ 234.10032 153.0
[M-H]- 194.12988 148.2
[M+Na-2H]- 216.11183 150.8
[M]+ 195.13661 147.8
[M]- 195.13771 147.8
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

No patent data available for this compound.