CID 139022435

1245915-52-9

Structural Information

Molecular Formula
C13H21N3O2
SMILES
CC(C)(C)OC(=O)NC1=NC=C(C=C1)CCCN
InChI
InChI=1S/C13H21N3O2/c1-13(2,3)18-12(17)16-11-7-6-10(9-15-11)5-4-8-14/h6-7,9H,4-5,8,14H2,1-3H3,(H,15,16,17)
InChIKey
WMSKLQRFXIQIQE-UHFFFAOYSA-N
Compound name
tert-butyl N-[5-(3-aminopropyl)pyridin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.16338 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.17066 161.2
[M+Na]+ 274.15260 166.6
[M-H]- 250.15610 162.8
[M+NH4]+ 269.19720 176.4
[M+K]+ 290.12654 164.6
[M+H-H2O]+ 234.16064 153.7
[M+HCOO]- 296.16158 182.6
[M+CH3COO]- 310.17723 198.9
[M+Na-2H]- 272.13805 165.7
[M]+ 251.16283 161.7
[M]- 251.16393 161.7
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.