CID 137943093

2287274-28-4

Structural Information

Molecular Formula
C10H18O
SMILES
CC(C)CC12CC(C1)(C2)CO
InChI
InChI=1S/C10H18O/c1-8(2)3-9-4-10(5-9,6-9)7-11/h8,11H,3-7H2,1-2H3
InChIKey
LRZZSHZTLQYBHI-UHFFFAOYSA-N
Compound name
[3-(2-methylpropyl)-1-bicyclo[1.1.1]pentanyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.13577 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 157.5
[M+Na]+ 177.12499 160.9
[M-H]- 153.12849 159.8
[M+NH4]+ 172.16959 164.1
[M+K]+ 193.09893 165.8
[M+H-H2O]+ 137.13303 145.4
[M+HCOO]- 199.13397 168.6
[M+CH3COO]- 213.14962 206.3
[M+Na-2H]- 175.11044 162.4
[M]+ 154.13522 181.8
[M]- 154.13632 181.8
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

No patent data available for this compound.