CID 135417401

6b,9a-dihydro-8-(methylamino)acenaphth(1,2-d)oxazole hydrochloride

Structural Information

Molecular Formula
C14H12N2O
SMILES
CN=C1NC2C(O1)C3=CC=CC4=C3C2=CC=C4
InChI
InChI=1S/C14H12N2O/c1-15-14-16-12-9-6-2-4-8-5-3-7-10(11(8)9)13(12)17-14/h2-7,12-13H,1H3,(H,15,16)
InChIKey
AGEOCWBGHJHKHK-UHFFFAOYSA-N
Compound name
N-methyl-9,9a-dihydro-6bH-acenaphthyleno[1,2-d][1,3]oxazol-8-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.09496 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10224 147.3
[M+Na]+ 247.08418 160.0
[M+NH4]+ 242.12878 157.7
[M+K]+ 263.05812 156.3
[M-H]- 223.08768 151.5
[M+Na-2H]- 245.06963 150.5
[M]+ 224.09441 150.3
[M]- 224.09551 150.3
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.