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

10
Patents

222.08269 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.08997 141.3
[M+Na]+ 245.07191 149.8
[M-H]- 221.07541 151.3
[M+NH4]+ 240.11651 155.9
[M+K]+ 261.04585 148.0
[M+H-H2O]+ 205.07995 134.8
[M+HCOO]- 267.08089 160.6
[M+CH3COO]- 281.09654 154.4
[M+Na-2H]- 243.05736 143.0
[M]+ 222.08214 144.4
[M]- 222.08324 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