CID 137951777

2174000-20-3

Structural Information

Molecular Formula
C9H16O
SMILES
C1CC2CC2C(C1)CCO
InChI
InChI=1S/C9H16O/c10-5-4-7-2-1-3-8-6-9(7)8/h7-10H,1-6H2
InChIKey
AFOFPDRRIBNHAS-UHFFFAOYSA-N
Compound name
2-(2-bicyclo[4.1.0]heptanyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

140.12012 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.12740 130.4
[M+Na]+ 163.10934 138.3
[M-H]- 139.11284 134.0
[M+NH4]+ 158.15394 147.7
[M+K]+ 179.08328 135.5
[M+H-H2O]+ 123.11738 125.0
[M+HCOO]- 185.11832 149.4
[M+CH3COO]- 199.13397 176.6
[M+Na-2H]- 161.09479 136.6
[M]+ 140.11957 129.9
[M]- 140.12067 129.9
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.