CID 10080701

2-ethyl-3,4-dihydro-2h-1,4-benzoxazine

Structural Information

Molecular Formula
C10H13NO
SMILES
CCC1CNC2=CC=CC=C2O1
InChI
InChI=1S/C10H13NO/c1-2-8-7-11-9-5-3-4-6-10(9)12-8/h3-6,8,11H,2,7H2,1H3
InChIKey
FGGVUMQQASDBJD-UHFFFAOYSA-N
Compound name
2-ethyl-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

163.09972 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.10700 133.7
[M+Na]+ 186.08894 140.8
[M-H]- 162.09244 135.7
[M+NH4]+ 181.13354 152.2
[M+K]+ 202.06288 138.7
[M+H-H2O]+ 146.09698 127.3
[M+HCOO]- 208.09792 151.5
[M+CH3COO]- 222.11357 146.3
[M+Na-2H]- 184.07439 142.4
[M]+ 163.09917 131.0
[M]- 163.10027 131.0
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