CID 103127223

1694220-62-6

Structural Information

Molecular Formula
C12H18N4O4
SMILES
CC(C)(C)OC(=O)N1CCCC1C2=NNN=C2C(=O)O
InChI
InChI=1S/C12H18N4O4/c1-12(2,3)20-11(19)16-6-4-5-7(16)8-9(10(17)18)14-15-13-8/h7H,4-6H2,1-3H3,(H,17,18)(H,13,14,15)
InChIKey
QHDCLZHHOOVMIS-UHFFFAOYSA-N
Compound name
5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-2H-triazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1328 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14008 166.0
[M+Na]+ 305.12202 172.1
[M-H]- 281.12552 165.5
[M+NH4]+ 300.16662 178.5
[M+K]+ 321.09596 170.5
[M+H-H2O]+ 265.13006 158.2
[M+HCOO]- 327.13100 179.1
[M+CH3COO]- 341.14665 192.3
[M+Na-2H]- 303.10747 164.5
[M]+ 282.13225 164.6
[M]- 282.13335 164.6
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

No patent data available for this compound.