CID 15579939

9-cyclopropylnonanoic acid

Structural Information

Molecular Formula
C12H22O2
SMILES
C1CC1CCCCCCCCC(=O)O
InChI
InChI=1S/C12H22O2/c13-12(14)8-6-4-2-1-3-5-7-11-9-10-11/h11H,1-10H2,(H,13,14)
InChIKey
YVSYMQVXJYGAJL-UHFFFAOYSA-N
Compound name
9-cyclopropylnonanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

198.16199 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.16927 147.7
[M+Na]+ 221.15121 154.1
[M-H]- 197.15471 150.1
[M+NH4]+ 216.19581 161.6
[M+K]+ 237.12515 150.9
[M+H-H2O]+ 181.15925 141.4
[M+HCOO]- 243.16019 168.3
[M+CH3COO]- 257.17584 188.0
[M+Na-2H]- 219.13666 150.7
[M]+ 198.16144 152.1
[M]- 198.16254 152.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe