CID 362186

Nsc625777

Structural Information

Molecular Formula
C12H18N4O4
SMILES
CC(C)NC(=O)OCC1=C2C(CCN2N=N1)OC(=O)C
InChI
InChI=1S/C12H18N4O4/c1-7(2)13-12(18)19-6-9-11-10(20-8(3)17)4-5-16(11)15-14-9/h7,10H,4-6H2,1-3H3,(H,13,18)
InChIKey
SVIHJYUIIHWUSI-UHFFFAOYSA-N
Compound name
[3-(propan-2-ylcarbamoyloxymethyl)-5,6-dihydro-4H-pyrrolo[1,2-c]triazol-4-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1328 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14008 164.6
[M+Na]+ 305.12202 171.0
[M-H]- 281.12552 165.5
[M+NH4]+ 300.16662 180.6
[M+K]+ 321.09596 170.9
[M+H-H2O]+ 265.13006 156.8
[M+HCOO]- 327.13100 183.4
[M+CH3COO]- 341.14665 201.0
[M+Na-2H]- 303.10747 164.2
[M]+ 282.13225 168.2
[M]- 282.13335 168.2
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.