CID 59295085

[1-(2-methylpropyl)cyclopropyl]methanol

Structural Information

Molecular Formula
C8H16O
SMILES
CC(C)CC1(CC1)CO
InChI
InChI=1S/C8H16O/c1-7(2)5-8(6-9)3-4-8/h7,9H,3-6H2,1-2H3
InChIKey
QPABQBCGEKNMQI-UHFFFAOYSA-N
Compound name
[1-(2-methylpropyl)cyclopropyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

128.12012 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.12740 128.5
[M+Na]+ 151.10934 136.9
[M-H]- 127.11284 132.1
[M+NH4]+ 146.15394 147.2
[M+K]+ 167.08328 135.9
[M+H-H2O]+ 111.11738 124.3
[M+HCOO]- 173.11832 149.6
[M+CH3COO]- 187.13397 175.1
[M+Na-2H]- 149.09479 134.7
[M]+ 128.11957 131.1
[M]- 128.12067 131.1
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

patents stripe