CID 98984

Einecs 248-119-9

Structural Information

Molecular Formula
C14H19NO
SMILES
CC1CC(N=C(O1)CC2=CC=CC=C2)(C)C
InChI
InChI=1S/C14H19NO/c1-11-10-14(2,3)15-13(16-11)9-12-7-5-4-6-8-12/h4-8,11H,9-10H2,1-3H3
InChIKey
KDQDSZHGNOYQGK-UHFFFAOYSA-N
Compound name
2-benzyl-4,4,6-trimethyl-5,6-dihydro-1,3-oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

217.14667 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.15395 149.6
[M+Na]+ 240.13589 157.2
[M-H]- 216.13939 155.6
[M+NH4]+ 235.18049 167.7
[M+K]+ 256.10983 155.5
[M+H-H2O]+ 200.14393 142.2
[M+HCOO]- 262.14487 169.3
[M+CH3COO]- 276.16052 189.1
[M+Na-2H]- 238.12134 156.2
[M]+ 217.14612 149.5
[M]- 217.14722 149.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe