CID 139026664

2361635-24-5

Structural Information

Molecular Formula
C8H11N3O2
SMILES
CC1=NN=C2N1CCC2(C)C(=O)O
InChI
InChI=1S/C8H11N3O2/c1-5-9-10-6-8(2,7(12)13)3-4-11(5)6/h3-4H2,1-2H3,(H,12,13)
InChIKey
IQWLWCBHLFEZTN-UHFFFAOYSA-N
Compound name
3,7-dimethyl-5,6-dihydropyrrolo[2,1-c][1,2,4]triazole-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.08513 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.09241 137.6
[M+Na]+ 204.07435 147.9
[M-H]- 180.07785 137.8
[M+NH4]+ 199.11895 159.7
[M+K]+ 220.04829 146.2
[M+H-H2O]+ 164.08239 131.6
[M+HCOO]- 226.08333 156.7
[M+CH3COO]- 240.09898 178.1
[M+Na-2H]- 202.05980 141.3
[M]+ 181.08458 138.4
[M]- 181.08568 138.4
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.