CID 2802268

3,5,7-trimethyladamantane-1-carboxylic acid

Structural Information

Molecular Formula
C14H22O2
SMILES
CC12CC3(CC(C1)(CC(C2)(C3)C(=O)O)C)C
InChI
InChI=1S/C14H22O2/c1-11-4-12(2)6-13(3,5-11)9-14(7-11,8-12)10(15)16/h4-9H2,1-3H3,(H,15,16)
InChIKey
DHIIUPVOLLOORM-UHFFFAOYSA-N
Compound name
3,5,7-trimethyladamantane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

59
Patents

222.16199 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16927 159.1
[M+Na]+ 245.15121 167.1
[M+NH4]+ 240.19581 175.0
[M+K]+ 261.12515 153.2
[M-H]- 221.15471 156.3
[M+Na-2H]- 243.13666 159.1
[M]+ 222.16144 160.0
[M]- 222.16254 160.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe