CID 132346960

2137029-01-5

Structural Information

Molecular Formula
C8H13N5O2
SMILES
CN1N=C(N=N1)CN2CCC[C@@H]2C(=O)O
InChI
InChI=1S/C8H13N5O2/c1-12-10-7(9-11-12)5-13-4-2-3-6(13)8(14)15/h6H,2-5H2,1H3,(H,14,15)/t6-/m1/s1
InChIKey
YNOBHGGCZNOSHC-ZCFIWIBFSA-N
Compound name
(2R)-1-[(2-methyltetrazol-5-yl)methyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.10692 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.11420 146.9
[M+Na]+ 234.09614 155.0
[M-H]- 210.09964 146.2
[M+NH4]+ 229.14074 161.4
[M+K]+ 250.07008 153.3
[M+H-H2O]+ 194.10418 137.4
[M+HCOO]- 256.10512 163.3
[M+CH3COO]- 270.12077 183.2
[M+Na-2H]- 232.08159 147.2
[M]+ 211.10637 145.6
[M]- 211.10747 145.6
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.