CID 88269819

2243501-31-5

Structural Information

Molecular Formula
C8H13NO2
SMILES
CC(C)[C@@H](C(=O)OCC#C)N
InChI
InChI=1S/C8H13NO2/c1-4-5-11-8(10)7(9)6(2)3/h1,6-7H,5,9H2,2-3H3/t7-/m0/s1
InChIKey
BYNJODRGQRICND-ZETCQYMHSA-N
Compound name
prop-2-ynyl (2S)-2-amino-3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

155.09464 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.10192 136.2
[M+Na]+ 178.08386 143.8
[M-H]- 154.08736 135.3
[M+NH4]+ 173.12846 154.3
[M+K]+ 194.05780 143.3
[M+H-H2O]+ 138.09190 125.2
[M+HCOO]- 200.09284 152.1
[M+CH3COO]- 214.10849 188.8
[M+Na-2H]- 176.06931 137.1
[M]+ 155.09409 130.6
[M]- 155.09519 130.6
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