CID 124582585

1932793-09-3

Structural Information

Molecular Formula
C11H19N5O2
SMILES
CC(C)(C)OC(=O)N1C[C@H]([C@H](C1)N2C=CN=N2)N
InChI
InChI=1S/C11H19N5O2/c1-11(2,3)18-10(17)15-6-8(12)9(7-15)16-5-4-13-14-16/h4-5,8-9H,6-7,12H2,1-3H3/t8-,9+/m1/s1
InChIKey
ULZNGNSUUVUKGF-BDAKNGLRSA-N
Compound name
tert-butyl (3R,4S)-3-amino-4-(triazol-1-yl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

253.15387 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.16115 160.4
[M+Na]+ 276.14309 167.2
[M-H]- 252.14659 162.1
[M+NH4]+ 271.18769 175.2
[M+K]+ 292.11703 166.0
[M+H-H2O]+ 236.15113 151.6
[M+HCOO]- 298.15207 177.6
[M+CH3COO]- 312.16772 194.1
[M+Na-2H]- 274.12854 160.6
[M]+ 253.15332 159.1
[M]- 253.15442 159.1
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