CID 118323

Einecs 253-016-7

Structural Information

Molecular Formula
C8H14O
SMILES
C=CCC1(CCCC1)O
InChI
InChI=1S/C8H14O/c1-2-5-8(9)6-3-4-7-8/h2,9H,1,3-7H2
InChIKey
LEWSEJSBOCWBQY-UHFFFAOYSA-N
Compound name
1-prop-2-enylcyclopentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

199
Patents

126.10446 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.11174 128.2
[M+Na]+ 149.09368 134.7
[M-H]- 125.09718 130.1
[M+NH4]+ 144.13828 153.3
[M+K]+ 165.06762 132.8
[M+H-H2O]+ 109.10172 124.3
[M+HCOO]- 171.10266 149.8
[M+CH3COO]- 185.11831 167.2
[M+Na-2H]- 147.07913 133.3
[M]+ 126.10391 124.6
[M]- 126.10501 124.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe