CID 130934448

(1r,4s)-1,3,3-trimethylbicyclo(2.2.1)heptane-2-carboxylic acid

Structural Information

Molecular Formula
C11H18O2
SMILES
C[C@@]12CC[C@@H](C1)C(C2C(=O)O)(C)C
InChI
InChI=1S/C11H18O2/c1-10(2)7-4-5-11(3,6-7)8(10)9(12)13/h7-8H,4-6H2,1-3H3,(H,12,13)/t7-,8?,11+/m0/s1
InChIKey
MKQGYZBZONLTKB-MUWNOXIOSA-N
Compound name
(1R,4S)-1,3,3-trimethylbicyclo[2.2.1]heptane-2-carboxylic 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 142.5
[M+Na]+ 205.119898 151.0
[M-H]- 181.123404 144.6
[M+NH4]+ 200.164503 171.2
[M+K]+ 221.093838 148.4
[M+H-H2O]+ 165.127940 140.5
[M+HCOO]- 227.128881 161.1
[M+CH3COO]- 241.144531 180.5
[M+Na-2H]- 203.105346 145.6
[M]+ 182.13013142 142.1
[M]- 182.13122858 142.1
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.