CID 53739

77733-25-6

Structural Information

Molecular Formula
C12H16N2O
SMILES
CC1=C(C(=CC=C1)CNC2=NCCO2)C
InChI
InChI=1S/C12H16N2O/c1-9-4-3-5-11(10(9)2)8-14-12-13-6-7-15-12/h3-5H,6-8H2,1-2H3,(H,13,14)
InChIKey
DOSNTASWTMTORU-UHFFFAOYSA-N
Compound name
N-[(2,3-dimethylphenyl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

204.12627 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.133546 145.7
[M+Na]+ 227.115488 153.3
[M-H]- 203.118994 152.0
[M+NH4]+ 222.160093 163.9
[M+K]+ 243.089428 151.5
[M+H-H2O]+ 187.123530 138.3
[M+HCOO]- 249.124471 169.2
[M+CH3COO]- 263.140121 187.3
[M+Na-2H]- 225.100936 151.1
[M]+ 204.12572142 146.0
[M]- 204.12681858 146.0
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