CID 523517

Methyl 4-methyl-2-(methylamino)pentanoate hydrochloride

Structural Information

Molecular Formula
C8H17NO2
SMILES
CC(C)CC(C(=O)OC)NC
InChI
InChI=1S/C8H17NO2/c1-6(2)5-7(9-3)8(10)11-4/h6-7,9H,5H2,1-4H3
InChIKey
NYXMJFGTJZTHPT-UHFFFAOYSA-N
Compound name
methyl 4-methyl-2-(methylamino)pentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

159.12593 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.133206 138.3
[M+Na]+ 182.115148 143.5
[M-H]- 158.118654 138.4
[M+NH4]+ 177.159753 158.9
[M+K]+ 198.089088 144.4
[M+H-H2O]+ 142.123190 133.1
[M+HCOO]- 204.124131 160.1
[M+CH3COO]- 218.139781 183.0
[M+Na-2H]- 180.100596 140.6
[M]+ 159.12538142 139.6
[M]- 159.12647858 139.6
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