CID 14258634

2-amino-5-methylhex-4-enoic acid

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC(=CCC(C(=O)O)N)C
InChI
InChI=1S/C7H13NO2/c1-5(2)3-4-6(8)7(9)10/h3,6H,4,8H2,1-2H3,(H,9,10)
InChIKey
XRARHOAIGIRUNR-UHFFFAOYSA-N
Compound name
2-amino-5-methylhex-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

143.09464 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 133.4
[M+Na]+ 166.08386 138.9
[M-H]- 142.08736 131.8
[M+NH4]+ 161.12846 153.5
[M+K]+ 182.05780 138.2
[M+H-H2O]+ 126.09190 128.7
[M+HCOO]- 188.09284 153.6
[M+CH3COO]- 202.10849 175.8
[M+Na-2H]- 164.06931 134.6
[M]+ 143.09409 130.7
[M]- 143.09519 130.7
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