CID 43355653

1-(1h-1,2,3-benzotriazole-5-carbonyl)pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C12H12N4O3
SMILES
C1CC(N(C1)C(=O)C2=CC3=NNN=C3C=C2)C(=O)O
InChI
InChI=1S/C12H12N4O3/c17-11(16-5-1-2-10(16)12(18)19)7-3-4-8-9(6-7)14-15-13-8/h3-4,6,10H,1-2,5H2,(H,18,19)(H,13,14,15)
InChIKey
WRSGXPIZEUMBGG-UHFFFAOYSA-N
Compound name
1-(2H-benzotriazole-5-carbonyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.09094 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09822 156.8
[M+Na]+ 283.08016 165.0
[M-H]- 259.08366 157.6
[M+NH4]+ 278.12476 171.0
[M+K]+ 299.05410 161.1
[M+H-H2O]+ 243.08820 148.4
[M+HCOO]- 305.08914 172.5
[M+CH3COO]- 319.10479 167.3
[M+Na-2H]- 281.06561 157.7
[M]+ 260.09039 155.1
[M]- 260.09149 155.1
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.