CID 360961

Nsc623689

Structural Information

Molecular Formula
C10H16N4O2
SMILES
CC(C)NC(=O)OCC1=C2CCCN2N=N1
InChI
InChI=1S/C10H16N4O2/c1-7(2)11-10(15)16-6-8-9-4-3-5-14(9)13-12-8/h7H,3-6H2,1-2H3,(H,11,15)
InChIKey
UIZSAUACPJVYFL-UHFFFAOYSA-N
Compound name
5,6-dihydro-4H-pyrrolo[1,2-c]triazol-3-ylmethyl N-propan-2-ylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.12732 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.13460 151.4
[M+Na]+ 247.11654 158.1
[M-H]- 223.12004 152.0
[M+NH4]+ 242.16114 169.8
[M+K]+ 263.09048 157.3
[M+H-H2O]+ 207.12458 143.3
[M+HCOO]- 269.12552 171.3
[M+CH3COO]- 283.14117 190.2
[M+Na-2H]- 245.10199 153.4
[M]+ 224.12677 152.5
[M]- 224.12787 152.5
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.