CID 7130737

2-[methyl({[(propan-2-yl)carbamoyl]methyl})amino]acetic acid

Structural Information

Molecular Formula
C8H16N2O3
SMILES
CC(C)NC(=O)CN(C)CC(=O)O
InChI
InChI=1S/C8H16N2O3/c1-6(2)9-7(11)4-10(3)5-8(12)13/h6H,4-5H2,1-3H3,(H,9,11)(H,12,13)
InChIKey
HREQZINDTWIOAI-UHFFFAOYSA-N
Compound name
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

188.11609 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12337 144.0
[M+Na]+ 211.10531 148.2
[M-H]- 187.10881 144.1
[M+NH4]+ 206.14991 162.7
[M+K]+ 227.07925 149.6
[M+H-H2O]+ 171.11335 138.1
[M+HCOO]- 233.11429 166.2
[M+CH3COO]- 247.12994 190.1
[M+Na-2H]- 209.09076 145.2
[M]+ 188.11554 144.5
[M]- 188.11664 144.5
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