CID 42648113

1043384-66-2

Structural Information

Molecular Formula
C11H18N4O4
SMILES
CC(C)(C)OC(=O)NCCCN1C=C(N=N1)C(=O)O
InChI
InChI=1S/C11H18N4O4/c1-11(2,3)19-10(18)12-5-4-6-15-7-8(9(16)17)13-14-15/h7H,4-6H2,1-3H3,(H,12,18)(H,16,17)
InChIKey
MMRUFURNFSJYFP-UHFFFAOYSA-N
Compound name
1-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.1328 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.14008 162.6
[M+Na]+ 293.12202 168.8
[M-H]- 269.12552 161.2
[M+NH4]+ 288.16662 175.8
[M+K]+ 309.09596 167.9
[M+H-H2O]+ 253.13006 154.7
[M+HCOO]- 315.13100 180.5
[M+CH3COO]- 329.14665 195.7
[M+Na-2H]- 291.10747 165.4
[M]+ 270.13225 165.4
[M]- 270.13335 165.4
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

patents stripe