CID 3020486

Pukiiuagwafypn-uhfffaoysa-n

Structural Information

Molecular Formula
C11H20O2
SMILES
CC(CC=CC(=O)O)CC(C)(C)C
InChI
InChI=1S/C11H20O2/c1-9(8-11(2,3)4)6-5-7-10(12)13/h5,7,9H,6,8H2,1-4H3,(H,12,13)
InChIKey
PUKIIUAGWAFYPN-UHFFFAOYSA-N
Compound name
5,7,7-trimethyloct-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.14633 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.153606 145.4
[M+Na]+ 207.135548 151.0
[M-H]- 183.139054 144.1
[M+NH4]+ 202.180153 164.9
[M+K]+ 223.109488 149.6
[M+H-H2O]+ 167.143590 141.3
[M+HCOO]- 229.144531 163.5
[M+CH3COO]- 243.160181 182.3
[M+Na-2H]- 205.120996 147.7
[M]+ 184.14578142 146.3
[M]- 184.14687858 146.3
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.