CID 122645

100447-51-6

Structural Information

Molecular Formula
C14H18N2O
SMILES
C1CCC2=CC=CC=C2C(C1)NC3=NCCO3
InChI
InChI=1S/C14H18N2O/c1-3-7-12-11(5-1)6-2-4-8-13(12)16-14-15-9-10-17-14/h1,3,5,7,13H,2,4,6,8-10H2,(H,15,16)
InChIKey
GQWZJFITVXRTKC-UHFFFAOYSA-N
Compound name
N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1419 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14918 155.8
[M+Na]+ 253.13112 165.5
[M+NH4]+ 248.17572 164.1
[M+K]+ 269.10506 161.5
[M-H]- 229.13462 160.9
[M+Na-2H]- 251.11657 161.6
[M]+ 230.14135 158.5
[M]- 230.14245 158.5
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.