CID 10583996

6-amino-2-methylheptanoic acid hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 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

No literature data available for this compound.

Patent stripe

patents stripe