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

7
Patents

156.16264 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.169916 133.1
[M+Na]+ 179.151858 134.6
[M-H]- 155.155364 134.8
[M+NH4]+ 174.196463 150.5
[M+K]+ 195.125798 137.9
[M+H-H2O]+ 139.159900 126.2
[M+HCOO]- 201.160841 150.7
[M+CH3COO]- 215.176491 182.0
[M+Na-2H]- 177.137306 136.3
[M]+ 156.16209142 124.0
[M]- 156.16318858 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