CID 16643484

1-(azepan-1-yl)propan-2-amine

Structural Information

Molecular Formula
C9H20N2
SMILES
CC(CN1CCCCCC1)N
InChI
InChI=1S/C9H20N2/c1-9(10)8-11-6-4-2-3-5-7-11/h9H,2-8,10H2,1H3
InChIKey
OBBYUKKVCZUXOY-UHFFFAOYSA-N
Compound name
1-(azepan-1-yl)propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

156.16264 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.16992 134.4
[M+Na]+ 179.15186 141.5
[M+NH4]+ 174.19646 141.9
[M+K]+ 195.12580 137.8
[M-H]- 155.15536 135.8
[M+Na-2H]- 177.13731 138.9
[M]+ 156.16209 135.5
[M]- 156.16319 135.5
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