CID 379517

2-(3,5-dimethylcyclohexylamino)-2-oxazoline

Structural Information

Molecular Formula
C11H20N2O
SMILES
CC1CC(CC(C1)NC2=NCCO2)C
InChI
InChI=1S/C11H20N2O/c1-8-5-9(2)7-10(6-8)13-11-12-3-4-14-11/h8-10H,3-7H2,1-2H3,(H,12,13)
InChIKey
JJZCPNNQNQADNU-UHFFFAOYSA-N
Compound name
N-(3,5-dimethylcyclohexyl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.15756 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.16484 146.4
[M+Na]+ 219.14678 151.2
[M-H]- 195.15028 151.6
[M+NH4]+ 214.19138 164.6
[M+K]+ 235.12072 150.3
[M+H-H2O]+ 179.15482 139.1
[M+HCOO]- 241.15576 165.7
[M+CH3COO]- 255.17141 185.4
[M+Na-2H]- 217.13223 149.2
[M]+ 196.15701 141.9
[M]- 196.15811 141.9
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.