CID 92012487

3-(3,3-dimethylbicyclo[2.2.1]hept-2-yl)-2-buten-1-ol

Structural Information

Molecular Formula
C13H22O
SMILES
CC(=CCO)C1C2CCC(C2)C1(C)C
InChI
InChI=1S/C13H22O/c1-9(6-7-14)12-10-4-5-11(8-10)13(12,2)3/h6,10-12,14H,4-5,7-8H2,1-3H3
InChIKey
ZSXCYVVLXSYKLX-UHFFFAOYSA-N
Compound name
3-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)but-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.16707 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.17435 150.7
[M+Na]+ 217.15629 157.4
[M-H]- 193.15979 152.0
[M+NH4]+ 212.20089 177.0
[M+K]+ 233.13023 153.9
[M+H-H2O]+ 177.16433 147.5
[M+HCOO]- 239.16527 168.4
[M+CH3COO]- 253.18092 184.1
[M+Na-2H]- 215.14174 151.1
[M]+ 194.16652 148.9
[M]- 194.16762 148.9
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.