CID 543595

2-(2-hexylcyclopropyl)acetic acid

Structural Information

Molecular Formula
C11H20O2
SMILES
CCCCCCC1CC1CC(=O)O
InChI
InChI=1S/C11H20O2/c1-2-3-4-5-6-9-7-10(9)8-11(12)13/h9-10H,2-8H2,1H3,(H,12,13)
InChIKey
DSMAUFFXECFFMC-UHFFFAOYSA-N
Compound name
2-(2-hexylcyclopropyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

184.14633 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.153606 142.7
[M+Na]+ 207.135548 150.5
[M-H]- 183.139054 145.7
[M+NH4]+ 202.180153 157.5
[M+K]+ 223.109488 147.4
[M+H-H2O]+ 167.143590 136.9
[M+HCOO]- 229.144531 163.6
[M+CH3COO]- 243.160181 186.2
[M+Na-2H]- 205.120996 145.7
[M]+ 184.14578142 147.2
[M]- 184.14687858 147.2
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