CID 22608612

4-aminopent-2-ynoic acid

Structural Information

Molecular Formula
C5H7NO2
SMILES
CC(C#CC(=O)O)N
InChI
InChI=1S/C5H7NO2/c1-4(6)2-3-5(7)8/h4H,6H2,1H3,(H,7,8)
InChIKey
HWWDZOTZBIUNGW-UHFFFAOYSA-N
Compound name
4-aminopent-2-ynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

113.047676 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.05495 125.2
[M+Na]+ 136.03689 133.8
[M-H]- 112.04040 123.5
[M+NH4]+ 131.08150 144.3
[M+K]+ 152.01083 132.8
[M+H-H2O]+ 96.044936 114.8
[M+HCOO]- 158.04588 141.4
[M+CH3COO]- 172.06153 176.9
[M+Na-2H]- 134.02234 128.1
[M]+ 113.04713 117.4
[M]- 113.04822 117.4
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