CID 37122

2-(alpha-cyclopropylbenzylamino)-2-oxazoline

Structural Information

Molecular Formula
C13H16N2O
SMILES
C1CC1C(C2=CC=CC=C2)NC3=NCCO3
InChI
InChI=1S/C13H16N2O/c1-2-4-10(5-3-1)12(11-6-7-11)15-13-14-8-9-16-13/h1-5,11-12H,6-9H2,(H,14,15)
InChIKey
RSESMLXPRYZMST-UHFFFAOYSA-N
Compound name
N-[cyclopropyl(phenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.12627 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.13355 145.5
[M+Na]+ 239.11549 152.5
[M-H]- 215.11899 154.7
[M+NH4]+ 234.16009 157.6
[M+K]+ 255.08943 150.3
[M+H-H2O]+ 199.12353 137.4
[M+HCOO]- 261.12447 168.2
[M+CH3COO]- 275.14012 157.7
[M+Na-2H]- 237.10094 151.2
[M]+ 216.12572 145.9
[M]- 216.12682 145.9
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

patents stripe