CID 86767724

1803588-72-8

Structural Information

Molecular Formula
C13H21N3O3
SMILES
CC(C)(C)OC(=O)NCC(CC1=CC=NN1C)C=O
InChI
InChI=1S/C13H21N3O3/c1-13(2,3)19-12(18)14-8-10(9-17)7-11-5-6-15-16(11)4/h5-6,9-10H,7-8H2,1-4H3,(H,14,18)
InChIKey
JYPVVDBCJZRICL-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-formyl-3-(2-methylpyrazol-3-yl)propyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.1583 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16558 163.4
[M+Na]+ 290.14752 170.7
[M+NH4]+ 285.19212 167.7
[M+K]+ 306.12146 169.6
[M-H]- 266.15102 161.2
[M+Na-2H]- 288.13297 165.4
[M]+ 267.15775 163.3
[M]- 267.15885 163.3
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.