CID 102548341

Tert-butyl 3-[4-(aminomethyl)-1h-1,2,3-triazol-1-yl]pyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C12H21N5O2
SMILES
CC(C)(C)OC(=O)N1CCC(C1)N2C=C(N=N2)CN
InChI
InChI=1S/C12H21N5O2/c1-12(2,3)19-11(18)16-5-4-10(8-16)17-7-9(6-13)14-15-17/h7,10H,4-6,8,13H2,1-3H3
InChIKey
IHNVTCNEHCWXIB-UHFFFAOYSA-N
Compound name
tert-butyl 3-[4-(aminomethyl)triazol-1-yl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.16953 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.17681 164.7
[M+Na]+ 290.15875 171.1
[M-H]- 266.16225 166.2
[M+NH4]+ 285.20335 179.0
[M+K]+ 306.13269 169.7
[M+H-H2O]+ 250.16679 155.8
[M+HCOO]- 312.16773 181.6
[M+CH3COO]- 326.18338 197.1
[M+Na-2H]- 288.14420 164.5
[M]+ 267.16898 163.8
[M]- 267.17008 163.8
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.