CID 23518735

[2-(azepan-1-yl)ethyl](propan-2-yl)amine

Structural Information

Molecular Formula
C11H24N2
SMILES
CC(C)NCCN1CCCCCC1
InChI
InChI=1S/C11H24N2/c1-11(2)12-7-10-13-8-5-3-4-6-9-13/h11-12H,3-10H2,1-2H3
InChIKey
RMZFCHGMKNLUEN-UHFFFAOYSA-N
Compound name
N-[2-(azepan-1-yl)ethyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

184.19395 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.201226 141.7
[M+Na]+ 207.183168 142.3
[M-H]- 183.186674 143.5
[M+NH4]+ 202.227773 158.3
[M+K]+ 223.157108 145.5
[M+H-H2O]+ 167.191210 134.4
[M+HCOO]- 229.192151 159.3
[M+CH3COO]- 243.207801 188.3
[M+Na-2H]- 205.168616 144.8
[M]+ 184.19340142 134.2
[M]- 184.19449858 134.2
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

patents stripe