CID 102770

Einecs 218-758-8

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]+ 211.205636 156.4
[M+Na]+ 233.187578 162.3
[M-H]- 209.191084 157.4
[M+NH4]+ 228.232183 182.0
[M+K]+ 249.161518 159.1
[M+H-H2O]+ 193.195620 152.9
[M+HCOO]- 255.196561 173.5
[M+CH3COO]- 269.212211 188.6
[M+Na-2H]- 231.173026 156.2
[M]+ 210.19781142 155.7
[M]- 210.19890858 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.