CID 26657

14379-19-2

Structural Information

Molecular Formula
C13H20N2O
SMILES
CC(CC1=CC=CC=C1)NC(=O)CCCN
InChI
InChI=1S/C13H20N2O/c1-11(15-13(16)8-5-9-14)10-12-6-3-2-4-7-12/h2-4,6-7,11H,5,8-10,14H2,1H3,(H,15,16)
InChIKey
ZCEDFZCLWZXZGC-UHFFFAOYSA-N
Compound name
4-amino-N-(1-phenylpropan-2-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.15756 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.164836 154.1
[M+Na]+ 243.146778 157.8
[M-H]- 219.150284 156.4
[M+NH4]+ 238.191383 171.3
[M+K]+ 259.120718 155.4
[M+H-H2O]+ 203.154820 146.9
[M+HCOO]- 265.155761 177.1
[M+CH3COO]- 279.171411 194.8
[M+Na-2H]- 241.132226 157.0
[M]+ 220.15701142 152.2
[M]- 220.15810858 152.2
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.