CID 22326239

2-amino-6-methylheptanoic acid

Structural Information

Molecular Formula
C8H17NO2
SMILES
CC(C)CCCC(C(=O)O)N
InChI
InChI=1S/C8H17NO2/c1-6(2)4-3-5-7(9)8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)
InChIKey
HDIIAKZNFLPDPT-UHFFFAOYSA-N
Compound name
2-amino-6-methylheptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

57
Patents

159.12593 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.133206 139.4
[M+Na]+ 182.115148 144.1
[M-H]- 158.118654 137.5
[M+NH4]+ 177.159753 158.8
[M+K]+ 198.089088 143.7
[M+H-H2O]+ 142.123190 134.3
[M+HCOO]- 204.124131 159.0
[M+CH3COO]- 218.139781 180.4
[M+Na-2H]- 180.100596 140.0
[M]+ 159.12538142 137.8
[M]- 159.12647858 137.8
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