CID 215269

2-thenylamine, alpha-cyclopropyl-n-(2-oxazolinyl)-

Structural Information

Molecular Formula
C11H14N2OS
SMILES
C1CC1C(C2=CC=CS2)NC3=NCCO3
InChI
InChI=1S/C11H14N2OS/c1-2-9(15-7-1)10(8-3-4-8)13-11-12-5-6-14-11/h1-2,7-8,10H,3-6H2,(H,12,13)
InChIKey
VJHWETIJMQYHCX-UHFFFAOYSA-N
Compound name
N-[cyclopropyl(thiophen-2-yl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

222.08269 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.089966 141.3
[M+Na]+ 245.071908 149.8
[M-H]- 221.075414 151.3
[M+NH4]+ 240.116513 155.9
[M+K]+ 261.045848 148.0
[M+H-H2O]+ 205.079950 134.8
[M+HCOO]- 267.080891 160.6
[M+CH3COO]- 281.096541 154.4
[M+Na-2H]- 243.057356 143.0
[M]+ 222.08214142 144.4
[M]- 222.08323858 144.4
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