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]+ 171.13796 151.4
[M+Na]+ 193.11990 155.2
[M-H]- 169.12340 152.4
[M+NH4]+ 188.16450 161.0
[M+K]+ 209.09384 155.7
[M+H-H2O]+ 153.12794 148.3
[M+HCOO]- 215.12888 159.2
[M+CH3COO]- 229.14453 219.2
[M+Na-2H]- 191.10535 151.0
[M]+ 170.13013 149.0
[M]- 170.13123 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