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]+ 183.13796 144.2
[M+Na]+ 205.11990 151.7
[M-H]- 181.12340 145.8
[M+NH4]+ 200.16450 172.5
[M+K]+ 221.09384 149.1
[M+H-H2O]+ 165.12794 141.7
[M+HCOO]- 227.12888 162.8
[M+CH3COO]- 241.14453 179.4
[M+Na-2H]- 203.10535 147.7
[M]+ 182.13013 143.3
[M]- 182.13123 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.