CID 50742480

2,7-dimethyl-3,4-dihydro-2h-1,4-benzoxazine

Structural Information

Molecular Formula
C10H13NO
SMILES
CC1CNC2=C(O1)C=C(C=C2)C
InChI
InChI=1S/C10H13NO/c1-7-3-4-9-10(5-7)12-8(2)6-11-9/h3-5,8,11H,6H2,1-2H3
InChIKey
XMQVNUTYQGTWSH-UHFFFAOYSA-N
Compound name
2,7-dimethyl-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

163.09972 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.106996 133.8
[M+Na]+ 186.088938 141.9
[M-H]- 162.092444 136.3
[M+NH4]+ 181.133543 152.7
[M+K]+ 202.062878 139.8
[M+H-H2O]+ 146.096980 127.7
[M+HCOO]- 208.097921 151.6
[M+CH3COO]- 222.113571 146.8
[M+Na-2H]- 184.074386 141.7
[M]+ 163.09917142 131.5
[M]- 163.10026858 131.5
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

patents stripe