CID 138039668

2241128-97-0

Structural Information

Molecular Formula
C10H15ClN2O3
SMILES
CC(C)(C)OC(=O)NCC1=CC(=NO1)CCl
InChI
InChI=1S/C10H15ClN2O3/c1-10(2,3)15-9(14)12-6-8-4-7(5-11)13-16-8/h4H,5-6H2,1-3H3,(H,12,14)
InChIKey
YOYLXVLFOZCRCV-UHFFFAOYSA-N
Compound name
tert-butyl N-[[3-(chloromethyl)-1,2-oxazol-5-yl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.07712 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.08440 155.4
[M+Na]+ 269.06634 163.6
[M-H]- 245.06984 158.6
[M+NH4]+ 264.11094 172.9
[M+K]+ 285.04028 162.2
[M+H-H2O]+ 229.07438 149.8
[M+HCOO]- 291.07532 172.8
[M+CH3COO]- 305.09097 191.2
[M+Na-2H]- 267.05179 160.4
[M]+ 246.07657 161.1
[M]- 246.07767 161.1
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

No patent data available for this compound.