CID 3064454

2-(2-tetrahydropyranmethylamine)-2-oxazoline

Structural Information

Molecular Formula
C9H16N2O2
SMILES
C1CCOC(C1)CNC2=NCCO2
InChI
InChI=1S/C9H16N2O2/c1-2-5-12-8(3-1)7-11-9-10-4-6-13-9/h8H,1-7H2,(H,10,11)
InChIKey
VGGHTZDWXNXIGD-UHFFFAOYSA-N
Compound name
N-(oxan-2-ylmethyl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.12119 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.12847 140.2
[M+Na]+ 207.11041 144.0
[M-H]- 183.11391 145.5
[M+NH4]+ 202.15501 156.8
[M+K]+ 223.08435 145.0
[M+H-H2O]+ 167.11845 132.7
[M+HCOO]- 229.11939 159.5
[M+CH3COO]- 243.13504 179.3
[M+Na-2H]- 205.09586 146.3
[M]+ 184.12064 136.3
[M]- 184.12174 136.3
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.