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 146.4
[M+Na]+ 247.08418 155.9
[M-H]- 223.08768 151.9
[M+NH4]+ 242.12878 169.0
[M+K]+ 263.05812 152.0
[M+H-H2O]+ 207.09222 140.6
[M+HCOO]- 269.09316 166.8
[M+CH3COO]- 283.10881 159.8
[M+Na-2H]- 245.06963 152.8
[M]+ 224.09441 147.3
[M]- 224.09551 147.3
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.