CID 123484

4h-1,3-oxazine, 5,6-dihydro-4,4,6-trimethyl-2-(1-methylethenyl)-

Structural Information

Molecular Formula
C10H17NO
SMILES
CC1CC(N=C(O1)C(=C)C)(C)C
InChI
InChI=1S/C10H17NO/c1-7(2)9-11-10(4,5)6-8(3)12-9/h8H,1,6H2,2-5H3
InChIKey
NXCYOVQRBLCDPD-UHFFFAOYSA-N
Compound name
4,4,6-trimethyl-2-prop-1-en-2-yl-5,6-dihydro-1,3-oxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

17
Patents

167.13101 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.13829 135.6
[M+Na]+ 190.12023 143.5
[M-H]- 166.12373 138.7
[M+NH4]+ 185.16483 156.1
[M+K]+ 206.09417 143.5
[M+H-H2O]+ 150.12827 130.4
[M+HCOO]- 212.12921 154.3
[M+CH3COO]- 226.14486 181.5
[M+Na-2H]- 188.10568 141.0
[M]+ 167.13046 135.4
[M]- 167.13156 135.4
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