CID 154747277

4-(2-methylcyclopropyl)butan-1-ol

Structural Information

Molecular Formula
C8H16O
SMILES
CC1CC1CCCCO
InChI
InChI=1S/C8H16O/c1-7-6-8(7)4-2-3-5-9/h7-9H,2-6H2,1H3
InChIKey
JCGGIQSCSHGJIX-UHFFFAOYSA-N
Compound name
4-(2-methylcyclopropyl)butan-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]+ 129.12740 127.6
[M+Na]+ 151.10934 136.6
[M-H]- 127.11284 131.1
[M+NH4]+ 146.15394 144.8
[M+K]+ 167.08328 134.2
[M+H-H2O]+ 111.11738 122.3
[M+HCOO]- 173.11832 150.0
[M+CH3COO]- 187.13397 175.8
[M+Na-2H]- 149.09479 133.4
[M]+ 128.11957 130.8
[M]- 128.12067 130.8
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.