CID 10964444

2-cyclopentene-1-ethanol

Structural Information

Molecular Formula
C7H12O
SMILES
C1CC(C=C1)CCO
InChI
InChI=1S/C7H12O/c8-6-5-7-3-1-2-4-7/h1,3,7-8H,2,4-6H2
InChIKey
DNITZIKVBPIDEY-UHFFFAOYSA-N
Compound name
2-cyclopent-2-en-1-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

62
Patents

112.08881 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 113.09609 123.3
[M+Na]+ 135.07803 130.0
[M-H]- 111.08153 125.2
[M+NH4]+ 130.12263 147.0
[M+K]+ 151.05197 128.7
[M+H-H2O]+ 95.086070 118.5
[M+HCOO]- 157.08701 146.4
[M+CH3COO]- 171.10266 165.2
[M+Na-2H]- 133.06348 128.8
[M]+ 112.08826 121.2
[M]- 112.08936 121.2
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