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 141.6
[M+Na]+ 218.12638 145.9
[M-H]- 194.12988 143.9
[M+NH4]+ 213.17098 155.2
[M+K]+ 234.10032 147.6
[M+H-H2O]+ 178.13442 131.7
[M+HCOO]- 240.13536 156.9
[M+CH3COO]- 254.15101 151.9
[M+Na-2H]- 216.11183 145.0
[M]+ 195.13661 134.8
[M]- 195.13771 134.8
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.