CID 122240176

3-cyclopropyl-2,2-dimethylpropan-1-ol

Structural Information

Molecular Formula
C8H16O
SMILES
CC(C)(CC1CC1)CO
InChI
InChI=1S/C8H16O/c1-8(2,6-9)5-7-3-4-7/h7,9H,3-6H2,1-2H3
InChIKey
VPLXZZWKVPYYJT-UHFFFAOYSA-N
Compound name
3-cyclopropyl-2,2-dimethylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.12012 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.127396 128.1
[M+Na]+ 151.109338 136.5
[M-H]- 127.112844 131.5
[M+NH4]+ 146.153943 145.0
[M+K]+ 167.083278 134.5
[M+H-H2O]+ 111.117380 123.2
[M+HCOO]- 173.118321 148.9
[M+CH3COO]- 187.133971 175.0
[M+Na-2H]- 149.094786 135.0
[M]+ 128.11957142 130.4
[M]- 128.12066858 130.4
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.