CID 10012280

160205-15-2

Structural Information

Molecular Formula

C₇H₉N₃O₂

SMILES

CC1=NN=C2N1C(CC2)C(=O)O

InChI

InChI=1S/C7H9N3O2/c1-4-8-9-6-3-2-5(7(11)12)10(4)6/h5H,2-3H2,1H3,(H,11,12)

InChIKey

PCTUHZHKVNSBPJ-UHFFFAOYSA-N

Compound name

3-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 167.06947 Da
Monoisotopic Mass: 0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	168.07675	134.5
[M+Na]+	190.05869	144.1
[M+NH4]+	185.10329	141.2
[M+K]+	206.03263	144.1
[M-H]-	166.06219	132.7
[M+Na-2H]-	188.04414	136.8
[M]+	167.06892	134.9
[M]-	167.07002	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe