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 146.9
[M+Na]+ 226.09692 154.7
[M-H]- 202.10042 149.5
[M+NH4]+ 221.14152 166.4
[M+K]+ 242.07086 153.1
[M+H-H2O]+ 186.10496 141.9
[M+HCOO]- 248.10590 161.1
[M+CH3COO]- 262.12155 185.6
[M+Na-2H]- 224.08237 150.4
[M]+ 203.10715 150.0
[M]- 203.10825 150.0
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