CID 11229625

201024-66-0

Structural Information

Molecular Formula
C10H12ClNO2
SMILES
CC1(CC2=C(C(=O)C1)N=C(O2)CCl)C
InChI
InChI=1S/C10H12ClNO2/c1-10(2)3-6(13)9-7(4-10)14-8(5-11)12-9/h3-5H2,1-2H3
InChIKey
SOSMHGHRFZWGPP-UHFFFAOYSA-N
Compound name
2-(chloromethyl)-6,6-dimethyl-5,7-dihydro-1,3-benzoxazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.05565 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.062926 142.3
[M+Na]+ 236.044868 153.4
[M-H]- 212.048374 146.5
[M+NH4]+ 231.089473 164.7
[M+K]+ 252.018808 150.6
[M+H-H2O]+ 196.052910 137.9
[M+HCOO]- 258.053851 158.1
[M+CH3COO]- 272.069501 185.0
[M+Na-2H]- 234.030316 148.1
[M]+ 213.05510142 145.8
[M]- 213.05619858 145.8
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

No patent data available for this compound.