CID 58510235

1199225-39-2

Structural Information

Molecular Formula
C10H18ClNO
SMILES
CC(C)[C@H]1COC(=N1)C(C)(C)CCl
InChI
InChI=1S/C10H18ClNO/c1-7(2)8-5-13-9(12-8)10(3,4)6-11/h7-8H,5-6H2,1-4H3/t8-/m1/s1
InChIKey
KKZCAJJMWXCQPL-MRVPVSSYSA-N
Compound name
(4S)-2-(1-chloro-2-methylpropan-2-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

203.1077 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.11498 145.6
[M+Na]+ 226.09692 156.6
[M+NH4]+ 221.14152 153.7
[M+K]+ 242.07086 153.2
[M-H]- 202.10042 147.0
[M+Na-2H]- 224.08237 149.3
[M]+ 203.10715 147.8
[M]- 203.10825 147.8
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

patents stripe