CID 11009846

15356-62-4

Structural Information

Molecular Formula
C12H21ClO2
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OCC(=O)Cl)C(C)C
InChI
InChI=1S/C12H21ClO2/c1-8(2)10-5-4-9(3)6-11(10)15-7-12(13)14/h8-11H,4-7H2,1-3H3/t9-,10+,11-/m1/s1
InChIKey
VNMCKLVHDJADEB-OUAUKWLOSA-N
Compound name
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

232.123 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.13028 152.8
[M+Na]+ 255.11222 158.3
[M-H]- 231.11572 155.5
[M+NH4]+ 250.15682 171.8
[M+K]+ 271.08616 155.6
[M+H-H2O]+ 215.12026 148.2
[M+HCOO]- 277.12120 166.2
[M+CH3COO]- 291.13685 192.5
[M+Na-2H]- 253.09767 152.3
[M]+ 232.12245 153.2
[M]- 232.12355 153.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe