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]+ 183.13796 142.5
[M+Na]+ 205.11990 151.0
[M-H]- 181.12340 144.6
[M+NH4]+ 200.16450 171.2
[M+K]+ 221.09384 148.4
[M+H-H2O]+ 165.12794 140.5
[M+HCOO]- 227.12888 161.1
[M+CH3COO]- 241.14453 180.5
[M+Na-2H]- 203.10535 145.6
[M]+ 182.13013 142.1
[M]- 182.13123 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.