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]+ 225.134596 151.4
[M+Na]+ 247.116538 158.1
[M-H]- 223.120044 152.0
[M+NH4]+ 242.161143 169.8
[M+K]+ 263.090478 157.3
[M+H-H2O]+ 207.124580 143.3
[M+HCOO]- 269.125521 171.3
[M+CH3COO]- 283.141171 190.2
[M+Na-2H]- 245.101986 153.4
[M]+ 224.12677142 152.5
[M]- 224.12786858 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.