CID 114493

13305-29-8

Structural Information

Molecular Formula
C9H16O
SMILES
CC(C1CC2CCC1C2)O
InChI
InChI=1S/C9H16O/c1-6(10)9-5-7-2-3-8(9)4-7/h6-10H,2-5H2,1H3
InChIKey
BTAZDKRYLLXTRA-UHFFFAOYSA-N
Compound name
1-(2-bicyclo[2.2.1]heptanyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

140.12012 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.12740 134.5
[M+Na]+ 163.10934 140.6
[M-H]- 139.11284 135.8
[M+NH4]+ 158.15394 160.6
[M+K]+ 179.08328 138.9
[M+H-H2O]+ 123.11738 130.8
[M+HCOO]- 185.11832 153.4
[M+CH3COO]- 199.13397 173.0
[M+Na-2H]- 161.09479 136.4
[M]+ 140.11957 131.5
[M]- 140.12067 131.5
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.