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

92
Patents

128.12012 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.12740 128.3
[M+Na]+ 151.10934 136.3
[M-H]- 127.11284 131.4
[M+NH4]+ 146.15394 145.1
[M+K]+ 167.08328 134.0
[M+H-H2O]+ 111.11738 122.6
[M+HCOO]- 173.11832 150.7
[M+CH3COO]- 187.13397 174.7
[M+Na-2H]- 149.09479 134.6
[M]+ 128.11957 131.0
[M]- 128.12067 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