CID 137943093

[3-(2-methylpropyl)bicyclo[1.1.1]pentan-1-yl]methanol

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]+ 155.143046 157.5
[M+Na]+ 177.124988 160.9
[M-H]- 153.128494 159.8
[M+NH4]+ 172.169593 164.1
[M+K]+ 193.098928 165.8
[M+H-H2O]+ 137.133030 145.4
[M+HCOO]- 199.133971 168.6
[M+CH3COO]- 213.149621 206.3
[M+Na-2H]- 175.110436 162.4
[M]+ 154.13522142 181.8
[M]- 154.13631858 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.