CID 104431

N-[3-(dimethylamino)propyl]butanamide

Structural Information

Molecular Formula
C9H20N2O
SMILES
CCCC(=O)NCCCN(C)C
InChI
InChI=1S/C9H20N2O/c1-4-6-9(12)10-7-5-8-11(2)3/h4-8H2,1-3H3,(H,10,12)
InChIKey
AOVABFFPPHZBST-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

172.15756 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.164836 143.4
[M+Na]+ 195.146778 147.9
[M-H]- 171.150284 144.6
[M+NH4]+ 190.191383 163.9
[M+K]+ 211.120718 148.6
[M+H-H2O]+ 155.154820 137.3
[M+HCOO]- 217.155761 168.1
[M+CH3COO]- 231.171411 190.7
[M+Na-2H]- 193.132226 147.1
[M]+ 172.15701142 145.4
[M]- 172.15810858 145.4
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