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]+ 185.128466 140.2
[M+Na]+ 207.110408 144.0
[M-H]- 183.113914 145.5
[M+NH4]+ 202.155013 156.8
[M+K]+ 223.084348 145.0
[M+H-H2O]+ 167.118450 132.7
[M+HCOO]- 229.119391 159.5
[M+CH3COO]- 243.135041 179.3
[M+Na-2H]- 205.095856 146.3
[M]+ 184.12064142 136.3
[M]- 184.12173858 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.