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]+ 129.127396 127.6
[M+Na]+ 151.109338 136.6
[M-H]- 127.112844 131.1
[M+NH4]+ 146.153943 144.8
[M+K]+ 167.083278 134.2
[M+H-H2O]+ 111.117380 122.3
[M+HCOO]- 173.118321 150.0
[M+CH3COO]- 187.133971 175.8
[M+Na-2H]- 149.094786 133.4
[M]+ 128.11957142 130.8
[M]- 128.12066858 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.