CID 34067

Brn 4915210

Structural Information

Molecular Formula
C13H17NO2
SMILES
CC1=CC(=C2C(=C1)C(=NCC(CO2)O)C)C
InChI
InChI=1S/C13H17NO2/c1-8-4-9(2)13-12(5-8)10(3)14-6-11(15)7-16-13/h4-5,11,15H,6-7H2,1-3H3
InChIKey
IQOZKTSFXCYCJD-UHFFFAOYSA-N
Compound name
6,8,10-trimethyl-3,4-dihydro-2H-1,5-benzoxazocin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.12593 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 152.9
[M+Na]+ 242.11515 157.3
[M+NH4]+ 237.15975 155.6
[M+K]+ 258.08909 156.3
[M-H]- 218.11865 154.0
[M+Na-2H]- 240.10060 155.4
[M]+ 219.12538 153.8
[M]- 219.12648 153.8
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.