CID 102770

2226-14-4

Structural Information

Molecular Formula
C14H26O
SMILES
CC(CCCC1C2CCC(C2)C1(C)C)O
InChI
InChI=1S/C14H26O/c1-10(15)5-4-6-13-11-7-8-12(9-11)14(13,2)3/h10-13,15H,4-9H2,1-3H3
InChIKey
MRENMCYNWXGZMV-UHFFFAOYSA-N
Compound name
5-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)pentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.19836 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.20564 156.4
[M+Na]+ 233.18758 162.3
[M-H]- 209.19108 157.4
[M+NH4]+ 228.23218 182.0
[M+K]+ 249.16152 159.1
[M+H-H2O]+ 193.19562 152.9
[M+HCOO]- 255.19656 173.5
[M+CH3COO]- 269.21221 188.6
[M+Na-2H]- 231.17303 156.2
[M]+ 210.19781 155.7
[M]- 210.19891 155.7
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

No patent data available for this compound.