CID 126790569

2059932-30-6

Structural Information

Molecular Formula
C10H16N4O2
SMILES
CC1=NOC(=N1)CN2CCCCC(C2=O)N
InChI
InChI=1S/C10H16N4O2/c1-7-12-9(16-13-7)6-14-5-3-2-4-8(11)10(14)15/h8H,2-6,11H2,1H3
InChIKey
MFSJXZYRFTZWFA-UHFFFAOYSA-N
Compound name
3-amino-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]azepan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.12732 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.13460 148.8
[M+Na]+ 247.11654 154.6
[M-H]- 223.12004 152.9
[M+NH4]+ 242.16114 161.9
[M+K]+ 263.09048 157.2
[M+H-H2O]+ 207.12458 138.5
[M+HCOO]- 269.12552 166.4
[M+CH3COO]- 283.14117 191.5
[M+Na-2H]- 245.10199 150.8
[M]+ 224.12677 143.6
[M]- 224.12787 143.6
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.