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]+ 223.20564 159.7
[M+Na]+ 245.18758 165.5
[M-H]- 221.19108 160.6
[M+NH4]+ 240.23218 184.8
[M+K]+ 261.16152 161.5
[M+H-H2O]+ 205.19562 156.2
[M+HCOO]- 267.19656 176.7
[M+CH3COO]- 281.21221 190.7
[M+Na-2H]- 243.17303 159.1
[M]+ 222.19781 158.7
[M]- 222.19891 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