CID 12757490

1-methylcyclooctane-1-carboxylic acid

Structural Information

Molecular Formula
C10H18O2
SMILES
CC1(CCCCCCC1)C(=O)O
InChI
InChI=1S/C10H18O2/c1-10(9(11)12)7-5-3-2-4-6-8-10/h2-8H2,1H3,(H,11,12)
InChIKey
NVHVUKCFHWOQQR-UHFFFAOYSA-N
Compound name
1-methylcyclooctane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

170.13068 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 151.4
[M+Na]+ 193.119898 155.2
[M-H]- 169.123404 152.4
[M+NH4]+ 188.164503 161.0
[M+K]+ 209.093838 155.7
[M+H-H2O]+ 153.127940 148.3
[M+HCOO]- 215.128881 159.2
[M+CH3COO]- 229.144531 219.2
[M+Na-2H]- 191.105346 151.0
[M]+ 170.13013142 149.0
[M]- 170.13122858 149.0
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

patents stripe