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]+ 239.150246 157.5
[M+Na]+ 261.132188 164.0
[M-H]- 237.135694 157.9
[M+NH4]+ 256.176793 172.5
[M+K]+ 277.106128 162.3
[M+H-H2O]+ 221.140230 149.0
[M+HCOO]- 283.141171 172.8
[M+CH3COO]- 297.156821 186.1
[M+Na-2H]- 259.117636 158.2
[M]+ 238.14242142 155.6
[M]- 238.14351858 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.