CID 572111

72549-86-1

Structural Information

Molecular Formula
C14H20N2O
SMILES
CC1CC(N=C(O1)NC2=CC=CC(=C2)C)(C)C
InChI
InChI=1S/C14H20N2O/c1-10-6-5-7-12(8-10)15-13-16-14(3,4)9-11(2)17-13/h5-8,11H,9H2,1-4H3,(H,15,16)
InChIKey
NIQRZQPGICFICB-UHFFFAOYSA-N
Compound name
4,4,6-trimethyl-N-(3-methylphenyl)-5,6-dihydro-1,3-oxazin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.15756 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.164836 154.4
[M+Na]+ 255.146778 162.2
[M-H]- 231.150284 160.8
[M+NH4]+ 250.191383 172.0
[M+K]+ 271.120718 160.4
[M+H-H2O]+ 215.154820 146.9
[M+HCOO]- 277.155761 175.1
[M+CH3COO]- 291.171411 194.5
[M+Na-2H]- 253.132226 160.7
[M]+ 232.15701142 154.0
[M]- 232.15810858 154.0
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

No patent data available for this compound.