CID 118145

Bicyclo(2.2.1)heptane-2-pentanol, beta,2-dimethyl-3-methylene-

Structural Information

Molecular Formula
C15H26O
SMILES
CC(CCCC1(C2CCC(C2)C1=C)C)CO
InChI
InChI=1S/C15H26O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h11,13-14,16H,2,4-10H2,1,3H3
InChIKey
XIWCAVKLPUJHOO-UHFFFAOYSA-N
Compound name
2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pentan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

222.19836 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.205636 159.7
[M+Na]+ 245.187578 165.5
[M-H]- 221.191084 160.6
[M+NH4]+ 240.232183 184.8
[M+K]+ 261.161518 161.5
[M+H-H2O]+ 205.195620 156.2
[M+HCOO]- 267.196561 176.7
[M+CH3COO]- 281.212211 190.7
[M+Na-2H]- 243.173026 159.1
[M]+ 222.19781142 158.7
[M]- 222.19890858 158.7
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

patents stripe