CID 3050597

6b,9a-dihydro-8-imino-9-methylacenaphth(1,2-d)oxazole hydrochloride

Structural Information

Molecular Formula
C14H12N2O
SMILES
CN1C2C(C3=CC=CC4=C3C2=CC=C4)OC1=N
InChI
InChI=1S/C14H12N2O/c1-16-12-9-6-2-4-8-5-3-7-10(11(8)9)13(12)17-14(16)15/h2-7,12-13,15H,1H3
InChIKey
XJHMWMPYFRYKKI-UHFFFAOYSA-N
Compound name
9-methyl-6b,9a-dihydroacenaphthyleno[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

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10224 147.0
[M+Na]+ 247.08418 157.3
[M-H]- 223.08768 152.8
[M+NH4]+ 242.12878 169.8
[M+K]+ 263.05812 153.4
[M+H-H2O]+ 207.09222 141.5
[M+HCOO]- 269.09316 167.3
[M+CH3COO]- 283.10881 160.7
[M+Na-2H]- 245.06963 152.6
[M]+ 224.09441 148.4
[M]- 224.09551 148.4
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