CID 211585

N-(3-chloro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine

Structural Information

Molecular Formula
C10H11ClN2O
SMILES
CC1=C(C=CC=C1Cl)NC2=NCCO2
InChI
InChI=1S/C10H11ClN2O/c1-7-8(11)3-2-4-9(7)13-10-12-5-6-14-10/h2-4H,5-6H2,1H3,(H,12,13)
InChIKey
PZAXGKHLPUZWAV-UHFFFAOYSA-N
Compound name
N-(3-chloro-2-methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

210.05598 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.063256 144.6
[M+Na]+ 233.045198 153.8
[M-H]- 209.048704 150.8
[M+NH4]+ 228.089803 163.3
[M+K]+ 249.019138 150.5
[M+H-H2O]+ 193.053240 137.9
[M+HCOO]- 255.054181 164.0
[M+CH3COO]- 269.069831 158.2
[M+Na-2H]- 231.030646 150.3
[M]+ 210.05543142 146.1
[M]- 210.05652858 146.1
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