CID 130751018

(1r,6s,7s)-7-methylbicyclo[4.1.0]heptane-7-carboxylic acid

Structural Information

Molecular Formula
C9H14O2
SMILES
CC1([C@H]2[C@@H]1CCCC2)C(=O)O
InChI
InChI=1S/C9H14O2/c1-9(8(10)11)6-4-2-3-5-7(6)9/h6-7H,2-5H2,1H3,(H,10,11)/t6-,7+,9?
InChIKey
MFIZEXRKZDGDND-AVSFMBPQSA-N
Compound name
(1R,6S)-7-methylbicyclo[4.1.0]heptane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.09938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 134.1
[M+Na]+ 177.088598 142.8
[M-H]- 153.092104 138.2
[M+NH4]+ 172.133203 152.7
[M+K]+ 193.062538 140.9
[M+H-H2O]+ 137.096640 129.9
[M+HCOO]- 199.097581 152.1
[M+CH3COO]- 213.113231 178.1
[M+Na-2H]- 175.074046 140.1
[M]+ 154.09883142 134.3
[M]- 154.09992858 134.3
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.