CID 9880216

N-formyl-l-leucine

Structural Information

Molecular Formula
C7H13NO3
SMILES
CC(C)C[C@@H](C(=O)O)NC=O
InChI
InChI=1S/C7H13NO3/c1-5(2)3-6(7(10)11)8-4-9/h4-6H,3H2,1-2H3,(H,8,9)(H,10,11)/t6-/m0/s1
InChIKey
HFBHOAHFRNLZGN-LURJTMIESA-N
Compound name
(2S)-2-formamido-4-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1632
Patents

159.08954 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.09682 135.3
[M+Na]+ 182.07876 140.6
[M-H]- 158.08226 134.1
[M+NH4]+ 177.12336 154.9
[M+K]+ 198.05270 140.7
[M+H-H2O]+ 142.08680 130.3
[M+HCOO]- 204.08774 156.4
[M+CH3COO]- 218.10339 179.2
[M+Na-2H]- 180.06421 137.6
[M]+ 159.08899 135.1
[M]- 159.09009 135.1
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