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]+ 225.134596 148.8
[M+Na]+ 247.116538 154.6
[M-H]- 223.120044 152.9
[M+NH4]+ 242.161143 161.9
[M+K]+ 263.090478 157.2
[M+H-H2O]+ 207.124580 138.5
[M+HCOO]- 269.125521 166.4
[M+CH3COO]- 283.141171 191.5
[M+Na-2H]- 245.101986 150.8
[M]+ 224.12677142 143.6
[M]- 224.12786858 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.