CID 3051185

67293-78-1

Structural Information

Molecular Formula
C14H17NO
SMILES
C1CC1N2CC3CC(C2)OC4=CC=CC=C34
InChI
InChI=1S/C14H17NO/c1-2-4-14-13(3-1)10-7-12(16-14)9-15(8-10)11-5-6-11/h1-4,10-12H,5-9H2
InChIKey
NJIWRGGDRSJSTJ-UHFFFAOYSA-N
Compound name
11-cyclopropyl-8-oxa-11-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

215.13101 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.138286 150.3
[M+Na]+ 238.120228 158.5
[M-H]- 214.123734 156.2
[M+NH4]+ 233.164833 163.8
[M+K]+ 254.094168 155.4
[M+H-H2O]+ 198.128270 141.9
[M+HCOO]- 260.129211 165.0
[M+CH3COO]- 274.144861 161.4
[M+Na-2H]- 236.105676 157.9
[M]+ 215.13046142 149.7
[M]- 215.13155858 149.7
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