CID 228813

2-amino-4-methylpent-4-enoic acid

Structural Information

Molecular Formula
C6H11NO2
SMILES
CC(=C)CC(C(=O)O)N
InChI
InChI=1S/C6H11NO2/c1-4(2)3-5(7)6(8)9/h5H,1,3,7H2,2H3,(H,8,9)
InChIKey
PABWDKROPVYJBH-UHFFFAOYSA-N
Compound name
2-amino-4-methylpent-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

320
Patents

129.07898 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 128.5
[M+Na]+ 152.06820 134.3
[M-H]- 128.07170 127.0
[M+NH4]+ 147.11280 149.1
[M+K]+ 168.04214 133.9
[M+H-H2O]+ 112.07624 123.9
[M+HCOO]- 174.07718 149.0
[M+CH3COO]- 188.09283 173.4
[M+Na-2H]- 150.05365 130.3
[M]+ 129.07843 125.5
[M]- 129.07953 125.5
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