CID 3049602

Trans-pivaloyl-2 cyclopropylcarbinol [french]

Structural Information

Molecular Formula
C9H16O2
SMILES
CC(C)(C)C(=O)[C@@H]1C[C@H]1CO
InChI
InChI=1S/C9H16O2/c1-9(2,3)8(11)7-4-6(7)5-10/h6-7,10H,4-5H2,1-3H3/t6-,7+/m0/s1
InChIKey
BMQUNCVYHJMXJR-NKWVEPMBSA-N
Compound name
1-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-2,2-dimethylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.11504 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.12232 133.5
[M+Na]+ 179.10426 142.5
[M-H]- 155.10776 137.2
[M+NH4]+ 174.14886 149.6
[M+K]+ 195.07820 140.3
[M+H-H2O]+ 139.11230 128.8
[M+HCOO]- 201.11324 153.4
[M+CH3COO]- 215.12889 180.1
[M+Na-2H]- 177.08971 138.2
[M]+ 156.11449 136.7
[M]- 156.11559 136.7
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.