CID 118556705

2648901-75-9

Structural Information

Molecular Formula
C7H10N4O2
SMILES
C1[C@@H](CN[C@@H]1C(=O)O)N2C=CN=N2
InChI
InChI=1S/C7H10N4O2/c12-7(13)6-3-5(4-8-6)11-2-1-9-10-11/h1-2,5-6,8H,3-4H2,(H,12,13)/t5-,6-/m0/s1
InChIKey
KCLIAYMWAUHSKI-WDSKDSINSA-N
Compound name
(2S,4S)-4-(triazol-1-yl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

182.08037 Da
Monoisotopic Mass

-3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08765 139.1
[M+Na]+ 205.06959 147.6
[M+NH4]+ 200.11419 144.5
[M+K]+ 221.04353 148.4
[M-H]- 181.07309 137.4
[M+Na-2H]- 203.05504 142.5
[M]+ 182.07982 139.2
[M]- 182.08092 139.2
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

patents stripe