CID 75972515

4-(adamantan-1-yl)-2-methylbutanoic acid

Structural Information

Molecular Formula
C15H24O2
SMILES
CC(CCC12CC3CC(C1)CC(C3)C2)C(=O)O
InChI
InChI=1S/C15H24O2/c1-10(14(16)17)2-3-15-7-11-4-12(8-15)6-13(5-11)9-15/h10-13H,2-9H2,1H3,(H,16,17)
InChIKey
VEBAECXBNHWWDW-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-2-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

236.17763 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.184906 161.2
[M+Na]+ 259.166848 161.3
[M-H]- 235.170354 154.5
[M+NH4]+ 254.211453 184.8
[M+K]+ 275.140788 158.1
[M+H-H2O]+ 219.174890 155.6
[M+HCOO]- 281.175831 164.3
[M+CH3COO]- 295.191481 168.1
[M+Na-2H]- 257.152296 168.2
[M]+ 236.17708142 160.5
[M]- 236.17817858 160.5
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