CID 145902272

2378503-53-6

Structural Information

Molecular Formula
C10H18N6O2
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(C2=NNN=N2)N
InChI
InChI=1S/C10H18N6O2/c1-9(2,3)18-8(17)16-5-4-10(11,6-16)7-12-14-15-13-7/h4-6,11H2,1-3H3,(H,12,13,14,15)
InChIKey
QUDKJZMHTDSZMB-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-3-(2H-tetrazol-5-yl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.14912 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.15640 158.6
[M+Na]+ 277.13834 165.5
[M-H]- 253.14184 157.9
[M+NH4]+ 272.18294 173.0
[M+K]+ 293.11228 163.9
[M+H-H2O]+ 237.14638 150.1
[M+HCOO]- 299.14732 173.5
[M+CH3COO]- 313.16297 190.2
[M+Na-2H]- 275.12379 161.0
[M]+ 254.14857 155.6
[M]- 254.14967 155.6
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.