CID 64146674

1404637-80-4

Structural Information

Molecular Formula
C13H18N2O4
SMILES
CC(C)(C)OC(=O)N(C)C(C1=CN=CC=C1)C(=O)O
InChI
InChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15(4)10(11(16)17)9-6-5-7-14-8-9/h5-8,10H,1-4H3,(H,16,17)
InChIKey
ZCPWXBPAGGQUNW-UHFFFAOYSA-N
Compound name
2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2-pyridin-3-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.12665 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.13393 160.1
[M+Na]+ 289.11587 164.9
[M-H]- 265.11937 162.3
[M+NH4]+ 284.16047 174.7
[M+K]+ 305.08981 165.5
[M+H-H2O]+ 249.12391 153.1
[M+HCOO]- 311.12485 179.0
[M+CH3COO]- 325.14050 199.2
[M+Na-2H]- 287.10132 162.9
[M]+ 266.12610 162.4
[M]- 266.12720 162.4
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

No patent data available for this compound.