CID 36557

33587-51-8

Structural Information

Molecular Formula
C12H16N2O
SMILES
CC(C)C1=CC=CC=C1NC2=NCCO2
InChI
InChI=1S/C12H16N2O/c1-9(2)10-5-3-4-6-11(10)14-12-13-7-8-15-12/h3-6,9H,7-8H2,1-2H3,(H,13,14)
InChIKey
MMATURVZOLHANI-UHFFFAOYSA-N
Compound name
N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

204.12627 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.133546 146.4
[M+Na]+ 227.115488 152.7
[M-H]- 203.118994 152.3
[M+NH4]+ 222.160093 164.1
[M+K]+ 243.089428 151.4
[M+H-H2O]+ 187.123530 138.8
[M+HCOO]- 249.124471 168.8
[M+CH3COO]- 263.140121 187.0
[M+Na-2H]- 225.100936 151.2
[M]+ 204.12572142 145.6
[M]- 204.12681858 145.6
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