CID 145912868

2377034-94-9

Structural Information

Molecular Formula
C12H17FO2
SMILES
CC12CC3CC(C1)(CC(C3)(C2)F)C(=O)O
InChI
InChI=1S/C12H17FO2/c1-10-2-8-3-11(5-10,9(14)15)7-12(13,4-8)6-10/h8H,2-7H2,1H3,(H,14,15)
InChIKey
LQBRXNRTWJQVFO-UHFFFAOYSA-N
Compound name
3-fluoro-5-methyladamantane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.12126 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12854 153.1
[M+Na]+ 235.11048 157.7
[M-H]- 211.11398 146.6
[M+NH4]+ 230.15508 181.6
[M+K]+ 251.08442 153.7
[M+H-H2O]+ 195.11852 146.3
[M+HCOO]- 257.11946 157.2
[M+CH3COO]- 271.13511 161.6
[M+Na-2H]- 233.09593 163.8
[M]+ 212.12071 152.1
[M]- 212.12181 152.1
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.