CID 139210994

2503208-32-8

Structural Information

Molecular Formula
C16H23N3O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)CN2C=C(C=N2)C#C
InChI
InChI=1S/C16H23N3O2/c1-5-13-10-17-19(11-13)12-14-6-8-18(9-7-14)15(20)21-16(2,3)4/h1,10-11,14H,6-9,12H2,2-4H3
InChIKey
ZMBGMCFZZOUFFZ-UHFFFAOYSA-N
Compound name
tert-butyl 4-[(4-ethynylpyrazol-1-yl)methyl]piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.17902 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.18630 168.9
[M+Na]+ 312.16824 176.0
[M-H]- 288.17174 168.3
[M+NH4]+ 307.21284 180.1
[M+K]+ 328.14218 171.6
[M+H-H2O]+ 272.17628 153.4
[M+HCOO]- 334.17722 177.8
[M+CH3COO]- 348.19287 206.3
[M+Na-2H]- 310.15369 167.7
[M]+ 289.17847 161.8
[M]- 289.17957 161.8
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.