CID 64678326

4-(azepan-1-yl)-2-methylbutan-2-amine

Structural Information

Molecular Formula
C11H24N2
SMILES
CC(C)(CCN1CCCCCC1)N
InChI
InChI=1S/C11H24N2/c1-11(2,12)7-10-13-8-5-3-4-6-9-13/h3-10,12H2,1-2H3
InChIKey
JKVMGGHPNDBTGP-UHFFFAOYSA-N
Compound name
4-(azepan-1-yl)-2-methylbutan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

184.19395 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.20123 141.6
[M+Na]+ 207.18317 142.9
[M-H]- 183.18667 143.1
[M+NH4]+ 202.22777 158.1
[M+K]+ 223.15711 145.7
[M+H-H2O]+ 167.19121 134.9
[M+HCOO]- 229.19215 158.0
[M+CH3COO]- 243.20780 187.2
[M+Na-2H]- 205.16862 145.5
[M]+ 184.19340 133.3
[M]- 184.19450 133.3
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