CID 64142926

2-{[(tert-butoxy)carbonyl]amino}-3-(1-methyl-1h-1,2,3-triazol-4-yl)propanoic acid

Structural Information

Molecular Formula
C11H18N4O4
SMILES
CC(C)(C)OC(=O)NC(CC1=CN(N=N1)C)C(=O)O
InChI
InChI=1S/C11H18N4O4/c1-11(2,3)19-10(18)12-8(9(16)17)5-7-6-15(4)14-13-7/h6,8H,5H2,1-4H3,(H,12,18)(H,16,17)
InChIKey
VGXICXBLXKZEQB-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methyltriazol-4-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

270.1328 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14008 160.7
[M+Na]+ 293.12202 166.7
[M+NH4]+ 288.16662 163.3
[M+K]+ 309.09596 168.2
[M-H]- 269.12552 156.4
[M+Na-2H]- 291.10747 161.4
[M]+ 270.13225 159.6
[M]- 270.13335 159.6
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