CID 11229625

2-(chloromethyl)-6,6-dimethyl-6,7-dihydrobenzo[d]oxazol-4(5h)-one

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]+ 214.06293 142.3
[M+Na]+ 236.04487 153.4
[M-H]- 212.04837 146.5
[M+NH4]+ 231.08947 164.7
[M+K]+ 252.01881 150.6
[M+H-H2O]+ 196.05291 137.9
[M+HCOO]- 258.05385 158.1
[M+CH3COO]- 272.06950 185.0
[M+Na-2H]- 234.03032 148.1
[M]+ 213.05510 145.8
[M]- 213.05620 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.