CID 6852169

L-valinal

Structural Information

Molecular Formula
C5H11NO
SMILES
CC(C)[C@@H](C=O)N
InChI
InChI=1S/C5H11NO/c1-4(2)5(6)3-7/h3-5H,6H2,1-2H3/t5-/m1/s1
InChIKey
DVOFEOSDXAVUJD-RXMQYKEDSA-N
Compound name
(2S)-2-amino-3-methylbutanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

9399
Patents

101.08406 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.091336 121.4
[M+Na]+ 124.073278 128.0
[M-H]- 100.076784 121.5
[M+NH4]+ 119.117883 144.0
[M+K]+ 140.047218 128.4
[M+H-H2O]+ 84.081320 116.9
[M+HCOO]- 146.082261 144.3
[M+CH3COO]- 160.097911 171.0
[M+Na-2H]- 122.058726 125.6
[M]+ 101.08351142 119.8
[M]- 101.08460858 119.8
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