CID 130652590

1269627-49-7

Structural Information

Molecular Formula
C11H18N4O2
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C2=NNN=C2
InChI
InChI=1S/C11H18N4O2/c1-11(2,3)17-10(16)15-6-4-5-9(15)8-7-12-14-13-8/h7,9H,4-6H2,1-3H3,(H,12,13,14)/t9-/m0/s1
InChIKey
LKYCGURHQDPSND-VIFPVBQESA-N
Compound name
tert-butyl (2S)-2-(2H-triazol-4-yl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.14297 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.15025 157.5
[M+Na]+ 261.13219 164.0
[M-H]- 237.13569 157.9
[M+NH4]+ 256.17679 172.5
[M+K]+ 277.10613 162.3
[M+H-H2O]+ 221.14023 149.0
[M+HCOO]- 283.14117 172.8
[M+CH3COO]- 297.15682 186.1
[M+Na-2H]- 259.11764 158.2
[M]+ 238.14242 155.6
[M]- 238.14352 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

literature stripe

Patent stripe

No patent data available for this compound.