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

5
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 133.1
[M+Na]+ 179.15186 134.6
[M-H]- 155.15536 134.8
[M+NH4]+ 174.19646 150.5
[M+K]+ 195.12580 137.9
[M+H-H2O]+ 139.15990 126.2
[M+HCOO]- 201.16084 150.7
[M+CH3COO]- 215.17649 182.0
[M+Na-2H]- 177.13731 136.3
[M]+ 156.16209 124.0
[M]- 156.16319 124.0
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