CID 140236418

2167826-05-1

Structural Information

Molecular Formula
C8H12N2O
SMILES
CC1(CCC1)C2=NOC(=C2)N
InChI
InChI=1S/C8H12N2O/c1-8(3-2-4-8)6-5-7(9)11-10-6/h5H,2-4,9H2,1H3
InChIKey
NWCWCLHTTWTDEE-UHFFFAOYSA-N
Compound name
3-(1-methylcyclobutyl)-1,2-oxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

152.09496 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.102236 127.7
[M+Na]+ 175.084178 134.5
[M-H]- 151.087684 133.6
[M+NH4]+ 170.128783 143.0
[M+K]+ 191.058118 137.0
[M+H-H2O]+ 135.092220 117.3
[M+HCOO]- 197.093161 149.9
[M+CH3COO]- 211.108811 179.4
[M+Na-2H]- 173.069626 134.3
[M]+ 152.09441142 135.2
[M]- 152.09550858 135.2
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