CID 28374658

1019452-24-4

Structural Information

Molecular Formula
C14H23N3O2
SMILES
CC(C)(C)OC(=O)N(CCCN)CC1=CN=CC=C1
InChI
InChI=1S/C14H23N3O2/c1-14(2,3)19-13(18)17(9-5-7-15)11-12-6-4-8-16-10-12/h4,6,8,10H,5,7,9,11,15H2,1-3H3
InChIKey
HTSBOBORTAMVBJ-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-aminopropyl)-N-(pyridin-3-ylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.17902 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.18630 164.3
[M+Na]+ 288.16824 172.8
[M+NH4]+ 283.21284 170.1
[M+K]+ 304.14218 168.4
[M-H]- 264.17174 165.1
[M+Na-2H]- 286.15369 168.9
[M]+ 265.17847 165.4
[M]- 265.17957 165.4
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.