CID 71380870

2-(7,7-dimethylbicyclo[2.2.1]heptan-1-yl)acetic acid

Structural Information

Molecular Formula
C11H18O2
SMILES
CC1(C2CCC1(CC2)CC(=O)O)C
InChI
InChI=1S/C11H18O2/c1-10(2)8-3-5-11(10,6-4-8)7-9(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKey
HNWAQNBCERQZJS-UHFFFAOYSA-N
Compound name
2-(7,7-dimethyl-1-bicyclo[2.2.1]heptanyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.13068 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.137956 144.2
[M+Na]+ 205.119898 151.7
[M-H]- 181.123404 145.8
[M+NH4]+ 200.164503 172.5
[M+K]+ 221.093838 149.1
[M+H-H2O]+ 165.127940 141.7
[M+HCOO]- 227.128881 162.8
[M+CH3COO]- 241.144531 179.4
[M+Na-2H]- 203.105346 147.7
[M]+ 182.13013142 143.3
[M]- 182.13122858 143.3
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.