CID 6993111

H-val-gly-oh

Structural Information

Molecular Formula
C7H14N2O3
SMILES
CC(C)[C@@H](C(=O)NCC(=O)O)N
InChI
InChI=1S/C7H14N2O3/c1-4(2)6(8)7(12)9-3-5(10)11/h4,6H,3,8H2,1-2H3,(H,9,12)(H,10,11)/t6-/m0/s1
InChIKey
IOUPEELXVYPCPG-LURJTMIESA-N
Compound name
2-[[(2S)-2-amino-3-methylbutanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

206
Patents

174.10045 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.10773 140.4
[M+Na]+ 197.08967 144.6
[M-H]- 173.09317 138.7
[M+NH4]+ 192.13427 158.6
[M+K]+ 213.06361 145.0
[M+H-H2O]+ 157.09771 134.8
[M+HCOO]- 219.09865 160.8
[M+CH3COO]- 233.11430 184.1
[M+Na-2H]- 195.07512 140.5
[M]+ 174.09990 137.6
[M]- 174.10100 137.6
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