CID 202432

Valeric acid, 2,2-diisopropyl-5-(dimethylamino)-, hydrochloride

Structural Information

Molecular Formula
C13H27NO2
SMILES
CC(C)C(CCCN(C)C)(C(C)C)C(=O)O
InChI
InChI=1S/C13H27NO2/c1-10(2)13(11(3)4,12(15)16)8-7-9-14(5)6/h10-11H,7-9H2,1-6H3,(H,15,16)
InChIKey
FYQGRWJYQXAGOJ-UHFFFAOYSA-N
Compound name
5-(dimethylamino)-2,2-di(propan-2-yl)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.20418 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.21146 159.2
[M+Na]+ 252.19340 162.6
[M-H]- 228.19690 158.9
[M+NH4]+ 247.23800 177.1
[M+K]+ 268.16734 163.2
[M+H-H2O]+ 212.20144 154.1
[M+HCOO]- 274.20238 177.0
[M+CH3COO]- 288.21803 200.0
[M+Na-2H]- 250.17885 158.7
[M]+ 229.20363 161.5
[M]- 229.20473 161.5
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.