CID 21427231

5-cyclopropylpentan-1-ol

Structural Information

Molecular Formula
C8H16O
SMILES
C1CC1CCCCCO
InChI
InChI=1S/C8H16O/c9-7-3-1-2-4-8-5-6-8/h8-9H,1-7H2
InChIKey
MFVJXTZKDXQYDR-UHFFFAOYSA-N
Compound name
5-cyclopropylpentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

128.12012 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.127396 128.3
[M+Na]+ 151.109338 136.3
[M-H]- 127.112844 131.4
[M+NH4]+ 146.153943 145.1
[M+K]+ 167.083278 134.0
[M+H-H2O]+ 111.117380 122.6
[M+HCOO]- 173.118321 150.7
[M+CH3COO]- 187.133971 174.7
[M+Na-2H]- 149.094786 134.6
[M]+ 128.11957142 131.0
[M]- 128.12066858 131.0
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