CID 15386311

171764-07-1

Structural Information

Molecular Formula
C11H17N3O
SMILES
CC(C)(C)[C@@H](C(=O)NC1=CC=CC=N1)N
InChI
InChI=1S/C11H17N3O/c1-11(2,3)9(12)10(15)14-8-6-4-5-7-13-8/h4-7,9H,12H2,1-3H3,(H,13,14,15)/t9-/m1/s1
InChIKey
ACNZLRUIGXMARU-SECBINFHSA-N
Compound name
(2S)-2-amino-3,3-dimethyl-N-pyridin-2-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

207.13716 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.144436 148.9
[M+Na]+ 230.126378 154.1
[M-H]- 206.129884 150.6
[M+NH4]+ 225.170983 165.7
[M+K]+ 246.100318 152.6
[M+H-H2O]+ 190.134420 142.0
[M+HCOO]- 252.135361 169.9
[M+CH3COO]- 266.151011 191.0
[M+Na-2H]- 228.111826 154.0
[M]+ 207.13661142 146.4
[M]- 207.13770858 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe