CID 6950945

N-formyl-l-valine

Structural Information

Molecular Formula
C6H11NO3
SMILES
CC(C)[C@@H](C(=O)O)NC=O
InChI
InChI=1S/C6H11NO3/c1-4(2)5(6(9)10)7-3-8/h3-5H,1-2H3,(H,7,8)(H,9,10)/t5-/m0/s1
InChIKey
QBYYLBWFBPAOKU-YFKPBYRVSA-N
Compound name
(2S)-2-formamido-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

231
Patents

145.0739 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.081176 130.6
[M+Na]+ 168.063118 136.4
[M-H]- 144.066624 129.6
[M+NH4]+ 163.107723 150.7
[M+K]+ 184.037058 136.8
[M+H-H2O]+ 128.071160 125.8
[M+HCOO]- 190.072101 152.0
[M+CH3COO]- 204.087751 176.1
[M+Na-2H]- 166.048566 133.5
[M]+ 145.07335142 130.1
[M]- 145.07444858 130.1
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