CID 66524498

Tert-butyl n-[5-(aminomethyl)pyridin-3-yl]carbamate

Structural Information

Molecular Formula
C11H17N3O2
SMILES
CC(C)(C)OC(=O)NC1=CN=CC(=C1)CN
InChI
InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-9-4-8(5-12)6-13-7-9/h4,6-7H,5,12H2,1-3H3,(H,14,15)
InChIKey
OTXAUSMKLLZKEW-UHFFFAOYSA-N
Compound name
tert-butyl N-[5-(aminomethyl)pyridin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

223.13208 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.13936 152.1
[M+Na]+ 246.12130 158.4
[M-H]- 222.12480 154.1
[M+NH4]+ 241.16590 168.5
[M+K]+ 262.09524 156.9
[M+H-H2O]+ 206.12934 145.0
[M+HCOO]- 268.13028 174.2
[M+CH3COO]- 282.14593 192.8
[M+Na-2H]- 244.10675 157.7
[M]+ 223.13153 151.9
[M]- 223.13263 151.9
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