CID 15144218

[[(2s)-2-methylbutoxy]methyl]benzene

Structural Information

Molecular Formula
C12H18O
SMILES
CC[C@H](C)COCC1=CC=CC=C1
InChI
InChI=1S/C12H18O/c1-3-11(2)9-13-10-12-7-5-4-6-8-12/h4-8,11H,3,9-10H2,1-2H3/t11-/m0/s1
InChIKey
YOANEDOLERYMCY-NSHDSACASA-N
Compound name
[(2S)-2-methylbutoxy]methylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

49
Patents

178.13577 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.143046 141.5
[M+Na]+ 201.124988 147.4
[M-H]- 177.128494 144.6
[M+NH4]+ 196.169593 161.6
[M+K]+ 217.098928 145.8
[M+H-H2O]+ 161.133030 135.4
[M+HCOO]- 223.133971 164.4
[M+CH3COO]- 237.149621 183.4
[M+Na-2H]- 199.110436 146.9
[M]+ 178.13522142 143.3
[M]- 178.13631858 143.3
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.