CID 121553681

2307750-10-1

Structural Information

Molecular Formula
C13H22N4O2
SMILES
CC(C)(C)OC(=O)N[C@@H]1CNC[C@H]1C2=CN(N=C2)C
InChI
InChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)16-11-7-14-6-10(11)9-5-15-17(4)8-9/h5,8,10-11,14H,6-7H2,1-4H3,(H,16,18)/t10-,11+/m0/s1
InChIKey
BJZSJBQISJHDQL-WDEREUQCSA-N
Compound name
tert-butyl N-[(3S,4R)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

266.1743 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.181576 165.2
[M+Na]+ 289.163518 170.7
[M-H]- 265.167024 166.9
[M+NH4]+ 284.208123 180.4
[M+K]+ 305.137458 168.6
[M+H-H2O]+ 249.171560 157.2
[M+HCOO]- 311.172501 182.2
[M+CH3COO]- 325.188151 195.3
[M+Na-2H]- 287.148966 165.2
[M]+ 266.17375142 163.2
[M]- 266.17484858 163.2
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